data_1ixd_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 1ixd _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.56 174.63 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.7 t -62.51 133.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.4 -29.56 11.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.52 150.0 24.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.75 143.82 30.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.59 169.44 17.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -132.65 145.47 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.75 139.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 94.06 9.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -141.99 -177.93 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.13 -59.58 13.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.16 109.57 2.85 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.28 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.99 104.56 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.325 2.017 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -128.73 169.34 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 92' ' ' ARG . 18.4 m-85 -132.29 138.25 47.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 160.22 30.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -102.14 148.33 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 36' ' ' ILE . 35.2 mt -67.03 146.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 17.9 mmm180 -128.93 -64.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.469 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.4 t90 -122.82 134.74 54.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.7 mt -126.76 105.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.469 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.54 -172.07 32.5 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.83 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -126.08 114.87 24.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.522 0.201 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.35 159.77 15.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.479 2.12 . . . . 0.0 112.341 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.14 87.6 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.524 2.149 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.36 -50.49 0.43 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.587 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.36 112.68 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 110.833 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.23 107.81 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.556 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -166.65 121.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.8 t -64.6 101.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.841 0.353 . . . . 0.0 110.559 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.5 114.03 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.11 114.97 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.99 113.75 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -104.4 130.54 52.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 108.57 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.77 133.83 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.68 -34.38 75.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.21 136.55 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.13 101.07 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.75 135.39 47.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.07 119.3 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.1 -28.35 3.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 m -79.19 175.49 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -110.1 -177.78 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -98.88 31.23 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.82 40.61 4.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.0 p -130.87 119.04 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -111.35 120.56 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 59.85 31.03 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.71 27.43 67.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -133.97 94.38 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.76 125.23 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 47.4 m-85 -100.12 -36.41 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.419 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 22.6 p90 -139.42 177.77 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.798 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 m -111.9 114.23 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.52 178.61 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 173.86 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.93 138.48 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 60.97 40.01 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -149.17 37.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.48 105.1 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.58 119.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -85.76 139.16 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.8 m -147.73 165.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -69.26 120.25 14.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.46 -34.73 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -64.09 -26.12 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 m -102.94 31.27 4.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.5 m -108.5 159.66 16.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -132.2 135.29 26.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.3 130.63 40.76 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.423 2.082 . . . . 0.0 112.253 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -103.06 107.19 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 30.67 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.4 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 24.3 mtp85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -138.3 179.57 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.5 t -61.22 135.97 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.43 6.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.63 149.44 25.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.65 137.29 33.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.51 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.52 143.64 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -98.32 158.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -94.98 48.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.54 175.38 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.403 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 2.1 m-80 -59.82 -58.0 22.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 29' ' ' ASN . 74.0 Cg_endo -75.6 109.77 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.586 2.191 . . . . 0.0 112.367 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.28 83.28 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.423 2.082 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -101.04 173.05 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -133.87 128.12 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.65 175.52 26.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.6 p -120.12 142.34 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.016 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.77 136.75 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 24.1 mmm180 -120.82 -63.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.462 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.5 t90 -124.37 133.02 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.0 mt -124.6 105.98 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.604 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.24 30.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.837 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -128.09 115.07 20.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.521 0.201 . . . . 0.0 110.767 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.43 159.53 16.05 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.507 2.138 . . . . 0.0 112.266 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.1 87.3 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.558 2.172 . . . . 0.0 112.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.05 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.24 112.67 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.674 0.273 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -73.13 107.86 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -166.86 121.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.795 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.68 99.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.82 0.343 . . . . 0.0 110.591 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.4 mt -106.84 114.59 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.02 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.54 106.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -94.47 128.76 41.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.01 111.6 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.65 138.5 50.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.28 -31.67 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.79 127.32 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.01 101.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.47 121.1 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 123.39 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.34 2.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -90.77 174.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -103.0 -170.27 1.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -104.9 31.33 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.32 46.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.9 p -135.9 122.51 20.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CE2' HD13 ' A' ' 49' ' ' LEU . 9.4 t80 -109.69 117.43 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 60.3 35.97 20.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.88 65.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -133.52 107.28 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -71.82 122.35 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 20.4 m-85 -103.2 -41.15 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 48.4 p90 -135.53 172.33 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -108.78 114.21 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.59 -176.79 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.26 165.15 25.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.3 141.95 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 62.6 39.6 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -150.58 40.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.46 109.4 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 tp -124.33 108.25 12.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -81.41 133.67 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.1 m -148.9 167.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -66.01 123.04 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.89 -35.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -64.08 -25.62 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 m -97.52 34.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.0 m -115.99 160.16 20.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.2 144.25 50.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.47 122.42 11.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.487 2.124 . . . . 0.0 112.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.06 101.97 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.66 30.92 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.77 0.319 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -137.07 -179.03 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.48 131.55 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.12 -30.74 8.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -81.19 137.53 35.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.38 151.02 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.31 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.29 157.13 45.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.29 148.14 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -90.82 83.93 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -131.36 -178.15 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.75 -58.83 13.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.91 109.61 2.88 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.64 2.226 . . . . 0.0 112.242 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.86 90.55 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.381 2.054 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -112.45 172.99 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -135.0 137.17 42.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.75 172.94 34.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.98 146.75 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -63.43 147.8 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -130.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 46.0 t90 -121.66 130.08 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.0 mt -120.91 105.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.646 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.25 -172.33 32.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.713 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -125.84 115.49 24.47 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.523 0.201 . . . . 0.0 110.702 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -57.45 159.59 15.94 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.482 2.122 . . . . 0.0 112.293 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.82 87.44 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.588 2.192 . . . . 0.0 112.309 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.3 -50.63 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.575 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.35 113.37 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.58 108.01 6.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.886 0.374 . . . . 0.0 110.477 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -166.63 121.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.776 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.0 t -63.77 100.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.52 114.8 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.748 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.93 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.39 104.78 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.596 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.49 146.16 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.4 104.86 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.13 140.62 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.9 -31.62 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.41 125.26 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.57 99.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 t -96.13 124.96 40.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.18 112.33 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.35 2.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.2 m -76.26 178.23 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -109.43 -178.3 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -106.6 35.58 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.13 44.55 2.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -135.17 129.4 33.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 14.0 t80 -122.63 122.29 38.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 60.39 31.26 20.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.51 63.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -133.5 112.77 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -65.77 123.73 20.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.415 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 7.4 m-85 -107.86 -44.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -143.37 162.31 36.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -99.73 116.57 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.75 179.47 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.09 156.71 38.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.43 139.4 51.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp 61.24 39.25 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -149.1 40.52 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.74 109.27 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -123.89 106.3 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.409 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 69.9 m-85 -77.28 142.22 39.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.4 m -155.98 166.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -68.71 123.55 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.74 -33.05 71.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.91 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -99.87 31.63 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 83.4 m -115.97 135.53 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.08 145.06 33.29 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.43 136.38 56.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.295 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -99.54 119.93 38.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.7 30.66 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.842 0.353 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -135.76 -178.42 5.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 t -62.74 133.31 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.98 -39.93 2.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.556 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -78.84 147.99 32.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.69 144.83 29.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.45 137.54 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.07 130.14 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.67 143.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -85.32 57.6 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.2 -177.48 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.87 -59.2 13.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.1 109.57 2.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.626 2.217 . . . . 0.0 112.277 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.28 91.31 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.273 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -117.17 172.53 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 92' ' ' ARG . 11.7 m-85 -132.1 119.42 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -136.47 169.31 23.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -112.57 143.86 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -65.95 132.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 18.7 mmm180 -116.27 -62.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.495 ' CE2' ' CE1' ' A' ' 71' ' ' TYR . 54.0 t90 -124.96 133.14 53.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -123.88 106.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.716 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.23 -168.01 27.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.785 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.52 114.99 21.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.593 0.235 . . . . 0.0 110.681 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.5 159.57 16.17 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.402 2.068 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.73 87.5 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.6 2.2 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.07 0.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.579 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.25 112.32 18.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.656 0.265 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.29 107.92 5.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.75 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.748 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.2 t -64.46 97.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.73 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 66' ' ' PHE . 11.5 mt -106.67 115.84 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.681 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.01 114.98 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.85 107.79 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.47 132.92 40.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -101.51 105.33 16.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.98 134.35 52.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.31 -30.79 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.7 150.16 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.64 107.98 18.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 m -108.17 141.46 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 113.26 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.45 -28.31 3.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.18 162.13 29.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.93 -176.85 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.1 34.28 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 41.67 3.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.545 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 p -143.97 120.11 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' CE2' HD13 ' A' ' 49' ' ' LEU . 7.3 t80 -92.19 98.85 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 59.73 29.23 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.39 -24.81 27.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 71' ' ' TYR . 2.1 m -77.44 94.52 4.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -69.75 128.43 36.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CE1' ' CE2' ' A' ' 38' ' ' TRP . 60.9 m-85 -115.54 -42.18 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 11.9 p90 -138.99 -179.38 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.93 105.2 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 m -127.73 172.72 10.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.77 177.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.93 137.99 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 61.28 40.04 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -147.14 36.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.62 99.28 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tp -113.01 124.79 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m-85 -97.04 132.69 42.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 28.6 m -146.78 166.99 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -66.37 124.59 23.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.85 -30.62 69.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -97.23 31.19 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.7 m -116.09 152.42 33.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.46 145.05 55.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.28 116.87 3.24 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -102.99 110.83 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.21 27.41 9.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.962 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.816 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -145.39 178.65 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.4 135.51 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.06 -39.93 2.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -75.13 152.12 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.62 150.95 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.57 164.59 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -132.26 143.45 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.69 148.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.68 79.95 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.42 -177.91 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.67 -59.16 13.45 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.0 109.64 2.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.297 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.62 87.14 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.442 2.095 . . . . 0.0 112.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -107.87 169.82 8.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.39 124.75 32.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.44 171.79 25.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -118.31 146.21 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.437 HG23 HD13 ' A' ' 36' ' ' ILE . 43.4 mt -66.29 135.05 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.77 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.972 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.465 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.2 t90 -123.28 132.63 54.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.0 mt -125.0 105.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.578 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -169.87 28.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.794 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -127.29 114.83 21.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.53 0.205 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.47 159.63 15.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.472 2.115 . . . . 0.0 112.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.88 87.63 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.21 -50.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.18 112.3 18.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.35 107.91 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.979 0.419 . . . . 0.0 110.536 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.74 120.95 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.61 100.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 110.715 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.6 mt -106.61 114.05 27.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.755 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.0 114.96 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.45 6.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.6 138.23 41.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -105.08 108.04 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.08 137.63 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.02 -31.63 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -90.93 124.51 35.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -62.99 100.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.94 123.9 37.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 110.02 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.57 -29.1 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.552 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.0 m -71.55 175.76 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 p -103.74 176.99 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.73 31.59 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.06 41.19 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -143.72 126.67 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -109.72 110.36 21.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 60.36 37.64 20.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.27 28.22 58.44 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.547 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 m -133.91 95.69 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 127.36 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.421 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 27.2 m-85 -109.83 -30.78 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -147.0 -178.09 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -117.12 115.27 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.0 m -139.14 178.42 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.87 -178.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.3 mt -92.37 138.27 31.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm 61.63 39.84 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -148.6 36.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.27 100.56 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.8 tp -120.71 122.64 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -90.23 149.19 22.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.0 m -156.54 166.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -68.47 122.27 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 tp -60.04 -33.05 71.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.89 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -99.71 31.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.6 m -115.96 160.51 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.45 141.11 32.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 135.35 66.64 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.487 2.124 . . . . 0.0 112.241 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -99.52 119.51 38.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.66 33.51 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.36 179.24 7.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.31 124.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 -35.86 4.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.593 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -76.33 142.24 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.74 150.95 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 159.61 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -123.51 145.95 48.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.73 145.7 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 78.35 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.53 -170.25 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.24 -58.61 1.9 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.87 111.52 2.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.34 106.98 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.499 2.133 . . . . 0.0 112.235 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -135.15 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.04 144.62 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.65 158.95 29.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -106.83 141.09 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -61.59 134.85 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 31.5 mmm180 -118.6 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CE2' ' CD1' ' A' ' 71' ' ' TYR . 49.0 t90 -125.08 131.67 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -122.67 105.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.4 -169.38 28.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.79 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.3 115.27 21.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.495 0.188 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.4 159.64 15.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.447 2.098 . . . . 0.0 112.289 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.82 87.5 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.549 2.166 . . . . 0.0 112.369 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.17 -50.66 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.27 112.34 18.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.763 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.31 107.92 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.394 . . . . 0.0 110.539 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.7 121.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.63 100.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.5 mt -107.49 115.61 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.88 114.92 27.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.44 103.54 1.27 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.03 142.85 27.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -111.99 108.94 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.05 134.95 53.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -65.26 -33.32 75.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.91 151.49 20.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -87.87 104.72 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.3 t -105.96 121.32 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 135.56 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.17 -28.52 7.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.1 m -82.77 -179.9 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -110.23 -175.45 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -103.99 33.22 3.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.84 40.18 3.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.61 118.97 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 49' ' ' LEU . 6.5 t80 -98.03 101.36 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 59.23 29.12 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 -20.47 49.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.704 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -86.79 96.91 10.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -72.9 123.9 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 38' ' ' TRP . 67.5 m-85 -102.65 -42.75 5.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 30.3 p90 -135.81 168.27 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -106.98 109.04 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.81 173.08 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.09 171.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.65 135.68 36.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp 61.48 47.17 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -153.76 38.1 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.02 106.67 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -123.51 108.78 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.1 m-85 -80.1 139.54 36.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.8 m -151.28 166.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -65.95 121.93 16.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.17 -33.32 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.73 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 m -98.31 29.73 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.1 m -116.0 150.61 36.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.1 145.03 55.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 128.11 28.29 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.514 2.142 . . . . 0.0 112.248 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -100.24 102.33 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.79 25.87 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.854 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.857 0.361 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.27 178.06 8.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.41 138.05 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.47 2.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -75.52 141.77 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mt -70.88 148.21 48.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.45 153.22 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.3 tt0 -120.14 153.67 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.5 t -124.35 135.69 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -75.91 81.54 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -125.69 177.35 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.07 -58.73 17.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.27 109.73 2.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.94 85.38 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.371 2.047 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 14.7 p90 -106.88 172.8 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 10.9 m-85 -140.05 115.67 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.55 -174.14 13.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.73 145.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 111.062 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.487 HG22 HD13 ' A' ' 36' ' ' ILE . 41.3 mt -60.43 153.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -135.44 -67.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.49 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 45.8 t90 -120.64 130.95 54.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.4 mt -122.03 105.99 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.514 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.19 -168.56 27.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.818 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -129.57 115.37 18.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.552 0.215 . . . . 0.0 110.761 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.58 159.52 16.56 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.344 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.03 87.72 0.85 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.593 2.195 . . . . 0.0 112.23 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.4 -50.06 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.556 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.28 112.16 18.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.12 107.72 5.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 110.58 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -166.98 124.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.41 101.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.669 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 mt -108.15 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.31 102.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.574 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.7 mt -88.33 144.25 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.7 111.76 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 13.2 mt -68.56 152.44 45.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.21 -31.71 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -98.15 126.76 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -68.88 96.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.69 128.45 53.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.65 121.01 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 138.42 -28.18 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.569 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m -87.08 167.82 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 -176.93 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.47 31.38 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.32 37.83 3.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -136.56 119.0 15.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -99.81 106.79 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 60.7 40.43 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 28.36 60.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 m -132.74 93.91 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 134.45 57.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.49 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -117.45 -39.17 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -141.58 -178.38 5.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 t -116.71 112.92 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 m -144.05 175.43 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.31 154.56 34.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.06 147.55 44.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt 61.92 33.28 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -147.61 38.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.06 100.33 3.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.424 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tp -115.06 108.75 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -77.66 144.1 37.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.7 m -157.37 166.13 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -70.2 123.95 22.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 tp -58.96 -36.16 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -25.66 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.5 m -100.55 31.19 3.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 99.6 m -112.28 150.32 31.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -123.37 141.85 37.21 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.65 126.93 24.03 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.525 2.15 . . . . 0.0 112.23 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.93 98.34 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.3 29.72 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -142.69 174.04 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.48 132.1 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.24 -35.09 5.25 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.0 m -80.22 151.69 29.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.328 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.88 150.98 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.45 156.39 41.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -131.06 144.07 51.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.0 158.85 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 37.04 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.36 177.73 8.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.67 -58.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.39 109.67 2.91 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.587 2.191 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.7 86.91 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.406 2.071 . . . . 0.0 112.282 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -106.56 171.83 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -132.67 135.4 45.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.17 -162.72 11.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.95 148.42 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -64.98 137.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 28.0 mmm180 -121.76 -60.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.476 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.5 t90 -128.33 133.52 48.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.6 mt -124.39 106.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.01 -168.39 28.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.724 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.3 114.86 21.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.503 0.192 . . . . 0.0 110.688 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.69 159.65 16.61 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.485 2.123 . . . . 0.0 112.251 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.76 87.87 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.519 2.146 . . . . 0.0 112.28 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -51.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.528 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.695 0.283 . . . . 0.0 110.751 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.27 107.92 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -166.81 120.94 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.775 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.71 98.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.98 115.21 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.96 114.94 27.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.76 111.43 3.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.99 130.7 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.34 108.55 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mt -66.09 148.42 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.11 -32.72 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -100.39 148.33 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.73 83.76 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.3 m -77.24 126.52 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.77 114.15 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.66 -28.33 2.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.0 m -82.26 173.82 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.2 p -105.18 -177.21 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -98.56 31.55 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.79 43.52 2.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.2 p -137.7 119.04 14.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -102.18 107.83 19.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 59.72 39.9 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.31 28.34 64.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 m -130.73 94.03 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -70.06 120.22 15.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.423 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 49.9 m-85 -101.3 -34.92 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 21.0 p90 -140.69 -178.48 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.9 t -114.47 114.91 26.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -141.13 171.55 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.54 179.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.94 142.65 27.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp 61.55 35.99 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -147.18 36.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.54 105.82 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -124.01 114.21 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -84.58 141.63 30.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -153.62 166.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -64.61 131.21 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.8 tp -70.47 -31.71 68.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -27.51 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.0 m -104.23 31.76 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.28 135.33 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.18 126.8 30.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 127.47 25.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.298 1.999 . . . . 0.0 112.311 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.32 102.3 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.73 30.42 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.56 178.98 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.56 141.36 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.39 -38.32 3.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 m -82.57 158.17 23.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -90.84 150.26 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.39 158.07 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.6 tt0 -119.94 148.73 43.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.87 148.8 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -92.24 83.02 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.24 -168.77 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.71 -58.6 1.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.5 Cg_endo -79.03 111.3 2.91 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.05 109.36 0.92 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.416 2.077 . . . . 0.0 112.23 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 2.9 p90 -132.52 164.85 25.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.406 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 30.8 m-85 -133.32 137.99 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.87 174.17 32.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -117.56 139.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -60.51 136.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.67 -64.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.486 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 46.5 t90 -120.15 131.31 54.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mt -122.08 106.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.574 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.35 -168.13 27.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.786 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -127.62 115.3 21.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.502 0.191 . . . . 0.0 110.783 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.43 159.87 15.23 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.497 2.132 . . . . 0.0 112.27 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.95 87.56 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -50.87 0.43 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.621 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.19 112.6 18.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.268 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -73.46 107.87 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -166.87 121.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.16 99.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.66 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -108.24 117.25 33.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.92 114.98 27.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 105.01 1.44 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.443 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.49 143.41 26.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -109.47 109.68 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.46 135.15 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.6 -35.23 78.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.23 134.23 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -60.14 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.3 t -86.38 123.95 32.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 117.16 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.45 42.32 1.5 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.5 m -136.63 169.91 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -104.19 -179.29 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -107.87 31.4 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.63 28.7 5.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.43 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 p -128.42 119.04 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -107.62 115.29 29.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 60.22 36.42 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.39 65.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.555 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.2 m -133.86 94.43 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 134.06 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 26.4 m-85 -115.63 -38.4 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -139.14 -178.95 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.58 107.66 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.47 -177.88 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.61 161.56 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.83 144.7 38.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 60.44 35.93 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -148.69 38.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.51 101.67 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.5 tp -117.21 113.54 22.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -84.13 139.12 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.8 m -148.76 166.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -68.23 122.51 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.82 -38.61 79.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -63.98 -24.64 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -101.32 33.88 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.25 145.66 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -117.46 141.94 29.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.27 126.79 23.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.473 2.115 . . . . 0.0 112.329 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -103.04 102.19 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.7 30.72 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.856 0.36 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.58 136.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.58 -38.53 3.09 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.04 148.88 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -83.7 149.22 26.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.52 146.45 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -110.53 154.31 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.31 152.82 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.23 106.85 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.29 -169.66 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.28 -58.52 1.9 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 109.54 2.81 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.67 117.78 5.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.359 2.039 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -138.41 161.98 35.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -128.42 134.97 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.67 -169.24 19.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.4 146.36 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.076 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 36' ' ' ILE . 43.5 mt -66.38 141.22 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 1.1 mmp_? -121.97 -66.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.466 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.7 t90 -120.62 131.49 54.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mt -121.94 105.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.62 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.85 -168.79 28.55 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.78 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.67 115.45 20.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.45 159.45 16.29 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.393 2.062 . . . . 0.0 112.206 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.84 87.46 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.542 2.161 . . . . 0.0 112.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.58 -50.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.577 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.26 112.38 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 110.795 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.12 107.95 5.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.864 0.364 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -166.75 120.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.747 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.39 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.849 0.357 . . . . 0.0 110.651 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 29.2 mt -108.15 117.24 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.786 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.01 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.46 103.75 1.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.29 151.95 21.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -117.54 104.82 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.19 135.99 52.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -70.02 -36.04 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.83 126.21 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.03 87.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.0 m -91.36 139.17 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.84 131.61 44.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.91 -28.4 7.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.16 164.25 26.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.45 -176.6 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -109.73 31.35 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.39 41.07 2.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.8 p -141.72 136.73 31.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 10.3 t80 -108.63 108.4 19.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 58.35 29.42 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.32 -20.44 47.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.591 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 m -84.34 108.97 17.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -77.46 128.32 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.416 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 48.7 m-85 -111.48 -46.58 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.409 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 12.6 p90 -133.24 168.58 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -108.79 103.53 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.05 173.91 10.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.72 157.4 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.8 145.63 40.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 60.32 31.43 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -143.6 40.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.51 109.3 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -121.16 112.87 19.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -83.4 138.27 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.7 m -151.83 167.03 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -67.06 123.2 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.23 -35.7 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -25.73 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.3 m -98.15 29.55 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 80.0 m -116.01 149.57 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.95 143.34 46.5 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.2 133.5 55.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.518 2.145 . . . . 0.0 112.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -102.97 113.54 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.75 30.25 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.37 177.94 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.54 140.09 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.63 -28.4 14.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.417 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.7 m -92.89 158.29 15.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mt -89.54 150.99 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.28 159.1 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -122.72 145.2 48.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.4 t -112.62 127.78 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.63 125.05 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.55 174.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.67 -59.61 13.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.1 109.78 2.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.283 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.96 87.44 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.363 2.042 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -104.38 160.09 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.15 127.64 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.06 156.82 27.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.59 142.44 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.412 HD12 HG23 ' A' ' 36' ' ' ILE . 37.8 mt -62.25 146.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 19.3 mmm180 -130.36 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.46 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 57.7 t90 -117.61 133.32 56.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 mt -124.92 105.95 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.47 -169.49 29.15 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.837 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -128.15 115.07 20.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.526 0.203 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.51 159.72 15.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.498 2.132 . . . . 0.0 112.317 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.08 87.8 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.553 2.169 . . . . 0.0 112.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.27 -50.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.25 112.0 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.669 0.271 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -73.55 107.6 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -167.0 120.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.694 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.4 t -62.09 105.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.612 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 mt -110.19 118.28 35.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.25 114.93 27.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.4 102.97 1.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.3 mt -90.48 136.41 33.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -103.66 108.56 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.07 134.88 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.02 -31.44 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.93 127.17 48.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.13 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.48 123.81 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.17 116.94 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.23 -28.62 2.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.4 m -89.11 175.0 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.87 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -98.33 34.03 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.73 38.75 3.34 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.01 118.99 21.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -110.21 108.62 18.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.26 35.88 20.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.2 28.84 63.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -127.82 94.02 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -62.0 122.63 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 15.7 m-85 -108.68 -40.35 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 24.1 p90 -147.15 174.19 11.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 t -108.68 118.0 35.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.88 -178.95 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.99 156.67 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.33 142.55 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp 60.96 37.08 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -147.88 38.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.9 98.97 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 tp -112.43 103.29 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -73.17 142.77 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 m -158.03 167.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.012 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -74.12 126.21 30.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 111.159 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.35 -42.4 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -63.97 -22.71 67.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.1 m -98.25 29.43 3.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.0 m -115.96 169.99 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.99 143.23 30.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 128.33 29.75 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.453 2.102 . . . . 0.0 112.254 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.01 116.84 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 32.4 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 175.21 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.5 t -58.72 122.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.21 -28.52 9.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -88.13 158.67 18.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.48 151.04 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.84 167.54 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.4 tt0 -133.56 148.87 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.69 156.22 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -96.22 62.41 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -101.99 -172.93 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.07 -58.7 3.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.02 111.72 2.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.697 2.264 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 89.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.473 2.115 . . . . 0.0 112.203 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -109.68 168.84 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 29.5 m-85 -138.32 112.92 8.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.79 176.89 16.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -121.48 144.29 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.1 mt -62.41 136.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 28.1 mmm180 -124.33 -59.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.497 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 60.4 t90 -128.21 134.09 48.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.5 mt -124.88 106.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.474 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.47 -171.78 33.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.735 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -128.1 115.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.534 0.206 . . . . 0.0 110.701 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.57 159.61 16.31 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.449 2.1 . . . . 0.0 112.36 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 87.3 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.547 2.165 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.08 -50.05 0.42 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.552 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.3 112.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 110.821 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.41 107.77 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.463 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -166.88 121.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.77 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.95 102.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 mt -108.05 115.45 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.76 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.25 122.98 26.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.4 mt -114.77 130.01 56.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.78 105.83 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.52 139.56 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.45 -43.19 86.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.26 131.25 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -73.19 108.89 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.58 137.34 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.45 106.86 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.72 -28.63 2.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.5 m -66.61 169.11 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -102.66 -178.62 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -110.48 30.86 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.86 40.92 2.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 128.65 20.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -109.9 107.61 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 60.3 39.6 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.45 28.09 62.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 m -130.76 94.83 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.99 132.57 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 13.6 m-85 -118.48 -40.98 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 27.9 p90 -141.15 -178.46 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 m -115.32 112.72 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.78 -177.73 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.48 -176.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -93.37 140.24 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt 60.91 39.97 16.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -148.72 41.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.29 107.42 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -126.61 110.88 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -85.01 137.74 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 m -145.78 167.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -68.54 121.41 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 tp -59.65 -29.94 68.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -63.93 -28.01 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.5 m -105.64 31.53 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.49 139.78 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.64 145.16 31.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 106.66 2.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.489 2.126 . . . . 0.0 112.363 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -66.54 129.81 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -109.15 30.98 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -139.56 178.43 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 t -62.86 131.5 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.37 -31.61 8.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -85.81 151.81 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.3 150.51 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.28 156.23 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.4 tt0 -123.79 148.11 46.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 52' ' ' LEU . 24.8 t -112.94 157.9 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -97.16 39.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.14 -177.98 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.21 -58.53 12.1 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.47 109.64 2.9 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.606 2.204 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.35 94.87 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 8.2 p90 -122.25 172.97 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.1 m-85 -131.39 121.13 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.65 166.59 25.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.81 147.4 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.081 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.493 HD11 HG23 ' A' ' 36' ' ' ILE . 40.1 mt -64.59 139.37 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -124.53 -60.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 59.6 t90 -127.33 133.77 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mt -125.02 105.93 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.513 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.06 -169.12 29.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.08 115.5 18.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.578 0.227 . . . . 0.0 110.709 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.38 159.63 15.61 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.52 2.147 . . . . 0.0 112.328 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.13 87.49 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.89 -50.36 0.42 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.631 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.26 113.26 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -73.37 107.81 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.429 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -166.94 121.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.46 100.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 66' ' ' PHE . 6.9 mt -108.06 116.76 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.21 114.93 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.24 113.69 5.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.415 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' CD1' ' CG2' ' A' ' 26' ' ' VAL . 14.3 mt -101.63 131.59 47.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 6.8 mt -67.91 143.22 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.4 -31.62 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.54 133.89 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.57 97.56 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.14 129.41 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.01 131.38 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.81 28.39 4.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.2 m -137.75 151.93 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -88.69 -173.42 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -110.14 31.87 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.55 44.75 1.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.14 119.13 12.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 49' ' ' LEU . 28.6 t80 -109.64 118.53 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 60.38 32.2 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.08 28.44 60.4 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -131.59 104.52 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -64.3 129.56 40.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -113.11 -37.5 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -151.59 172.81 15.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.6 t -107.17 116.86 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.7 m -143.95 171.15 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 152.75 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.11 146.29 50.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt 60.22 33.82 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -149.04 37.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.68 99.16 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 62.8 tp -119.04 123.16 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.09 141.35 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.1 m -149.07 166.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -67.97 120.68 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 tp -59.51 -29.1 67.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -28.07 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.8 m -102.17 31.63 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.6 m -113.92 158.04 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.5 145.17 39.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -67.83 109.4 1.89 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.388 2.059 . . . . 0.0 112.224 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -65.73 131.53 46.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -100.26 30.1 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.72 178.36 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.2 t -58.29 143.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.72 -45.66 2.53 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -70.76 153.07 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 mt -82.37 148.9 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.83 148.66 29.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.238 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -115.45 151.3 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.62 132.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.12 -178.93 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.77 -59.38 14.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.81 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.0 109.53 2.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.175 . . . . 0.0 112.236 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.08 104.33 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.452 2.101 . . . . 0.0 112.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 8.4 p90 -133.14 158.83 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -121.8 148.9 44.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.85 163.2 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.4 p -106.26 147.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.312 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG21 HD11 ' A' ' 36' ' ' ILE . 37.0 mt -66.34 144.1 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -126.13 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.455 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.9 t90 -119.96 132.43 55.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.0 mt -124.35 105.89 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.12 -167.08 25.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.857 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -127.66 114.96 20.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.473 0.178 . . . . 0.0 110.735 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.41 159.72 15.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.85 87.69 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.29 -51.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.57 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.27 113.51 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.722 0.296 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.48 107.76 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.76 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.48 99.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 0.0 110.649 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 66' ' ' PHE . 16.7 mt -107.82 116.09 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.02 116.39 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.8 mt -104.01 147.38 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -110.89 108.64 18.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.64 135.49 48.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -69.21 -38.28 78.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.12 118.33 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.28 98.1 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.3 123.49 47.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.01 139.03 57.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.02 -28.57 8.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.504 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 78.6 m -76.53 172.44 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -100.71 179.98 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.7 p30 -108.96 31.22 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.84 42.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 p -139.29 118.95 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.405 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 31.6 t80 -103.74 112.98 26.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 60.2 38.19 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.27 28.38 66.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -132.77 93.97 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -61.26 140.26 57.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 17.5 m-85 -124.9 -44.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -133.57 170.66 15.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.34 107.37 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.48 -176.83 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 170.08 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.95 142.96 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm 62.43 38.14 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -151.32 39.49 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.41 111.29 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.408 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 41.0 tp -130.1 122.67 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 66' ' ' PHE . 63.0 m-85 -96.38 147.3 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 m -155.81 165.11 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -68.72 122.81 19.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.06 -36.63 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -25.52 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.58 33.9 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 54.2 m -114.55 142.54 46.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 145.17 30.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.737 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.51 110.43 2.87 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.438 2.092 . . . . 0.0 112.282 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.55 131.92 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.69 30.15 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.86 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.41 128.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.7 -30.24 10.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.2 m -87.36 145.44 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.92 143.69 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.44 144.73 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.9 tt0 -118.41 144.11 46.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.7 t -106.78 158.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -97.39 37.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -178.08 5.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.66 -59.13 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.93 109.51 2.86 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.697 2.265 . . . . 0.0 112.269 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.56 81.69 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.422 2.081 . . . . 0.0 112.294 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.446 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 3.8 p90 -100.85 173.01 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 19.9 m-85 -136.52 123.4 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.31 -155.35 6.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.47 148.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.08 137.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -121.61 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.468 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.7 t90 -127.92 134.5 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.4 mt -125.56 105.96 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.531 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.52 -168.01 28.05 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.744 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.4 115.34 18.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.733 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.38 159.66 15.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.396 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.1 87.46 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.587 2.192 . . . . 0.0 112.295 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.71 -50.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.19 112.02 18.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.655 0.264 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.48 107.76 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.428 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -166.95 121.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.748 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.53 100.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mt -108.61 117.0 33.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.98 114.91 27.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 111.86 4.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 mt -100.89 130.11 46.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -97.51 111.37 23.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD23 ' CG ' ' A' ' 32' ' ' PHE . 9.3 mt -71.83 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.68 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -85.37 136.87 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.2 69.87 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.92 120.58 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.76 109.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.36 -27.99 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.7 m -87.05 -179.39 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.2 p -101.04 -176.67 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -111.58 31.4 6.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.08 33.06 3.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -132.51 119.15 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.415 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 24.4 t80 -112.48 107.13 15.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 60.73 38.64 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.55 28.47 71.01 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -128.21 93.95 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -60.63 131.92 52.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 21.1 m-85 -120.9 -42.42 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -149.8 163.43 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 t -100.5 120.3 39.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -143.56 170.46 15.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.07 152.95 26.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.92 142.4 56.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt 61.8 40.12 13.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -151.68 39.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 107.11 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 tp -123.83 116.79 23.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 66' ' ' PHE . 91.0 m-85 -90.8 141.74 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.7 m -152.99 166.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -66.76 122.4 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.39 -29.63 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -64.01 -28.05 69.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 m -101.58 33.8 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 52.7 m -109.87 163.63 13.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.01 145.13 37.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.51 108.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.435 2.09 . . . . 0.0 112.203 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.31 132.12 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.83 26.59 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.922 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.76 130.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.67 -28.05 15.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 m -90.44 157.71 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.71 150.85 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 166.27 29.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -130.91 148.06 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 21.3 t -111.19 149.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.166 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -90.5 91.35 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -173.51 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -71.15 -58.8 3.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.88 111.28 2.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.6 87.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.475 2.117 . . . . 0.0 112.219 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CZ ' ' HB ' ' A' ' 26' ' ' VAL . 17.3 p90 -109.36 140.81 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.48 149.45 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.58 -177.51 34.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -127.67 145.65 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 HD11 HG21 ' A' ' 36' ' ' ILE . 37.0 mt -64.95 140.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 22.9 mmm180 -125.31 -61.49 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.473 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.6 t90 -127.39 132.55 50.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 mt -123.96 106.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.594 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.78 30.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.755 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -126.51 114.91 23.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.674 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.52 159.55 16.28 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.466 2.111 . . . . 0.0 112.275 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.72 87.45 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.544 2.162 . . . . 0.0 112.269 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.85 -51.3 0.41 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 113.14 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.36 108.02 5.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -166.72 120.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.5 t -64.04 99.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.732 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.404 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 33.5 mt -106.19 113.95 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.751 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.92 27.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.84 114.47 6.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.418 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.2 mt -103.58 131.44 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -100.01 105.96 17.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.01 129.96 41.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.65 -31.15 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.34 122.72 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.11 91.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 22.8 m -101.71 141.47 34.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.75 133.32 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 28.46 5.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.2 m -134.06 143.31 47.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 p -80.02 -176.31 5.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -110.78 31.21 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.79 50.44 1.09 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.9 133.33 23.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.408 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 31.5 t80 -125.79 114.45 18.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 66' ' ' PHE . 21.4 mtm180 60.34 36.25 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.06 28.55 71.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.7 m -126.39 96.47 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -60.67 120.69 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.423 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 15.9 m-85 -107.41 -42.29 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 42.0 p90 -147.02 165.92 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 t -105.06 118.43 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.52 -176.8 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.17 167.69 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.44 137.64 36.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 61.97 39.2 13.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -147.37 39.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.68 109.31 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.2 tp -127.49 105.75 8.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -80.01 141.43 35.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.79 166.99 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -69.7 122.28 18.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.02 -33.45 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 m -104.09 31.71 4.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 34.1 m -114.71 128.07 56.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.73 137.68 19.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.35 132.8 52.77 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.435 2.09 . . . . 0.0 112.264 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.33 104.15 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.01 26.54 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -136.28 175.2 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.87 138.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.41 -28.72 12.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -90.96 152.59 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mt -85.49 150.15 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.66 155.66 35.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -120.07 151.48 38.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -112.61 159.47 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -93.59 46.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.27 166.78 14.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.501 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 5.2 m-80 -63.7 -50.23 72.71 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 87.4 Cg_endo -81.82 111.71 2.28 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.496 2.131 . . . . 0.0 112.248 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.37 115.76 2.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.399 2.066 . . . . 0.0 112.303 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -142.03 157.95 44.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 40.6 m-85 -129.35 122.92 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.52 159.77 27.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.439 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -99.4 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.437 HD12 HG23 ' A' ' 36' ' ' ILE . 43.2 mt -64.94 136.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 20.6 mmm180 -119.4 -62.14 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.469 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.7 t90 -127.67 133.88 49.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.5 mt -126.24 105.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.581 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.469 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -168.95 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.795 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -126.83 114.47 22.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.542 0.21 . . . . 0.0 110.715 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.64 159.66 16.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.472 2.114 . . . . 0.0 112.274 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.84 88.01 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.91 -51.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.535 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.19 111.96 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.655 0.265 . . . . 0.0 110.821 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.03 107.83 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -166.86 120.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.803 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.51 100.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.715 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -106.8 113.97 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.732 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.62 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.28 103.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.11 130.59 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.38 109.88 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.62 141.19 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.38 -31.25 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.32 137.05 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -76.86 93.64 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.68 124.08 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.16 124.57 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.44 -29.55 2.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.0 m -91.19 176.33 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.355 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 p -106.19 -170.26 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -105.56 32.29 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.76 33.62 3.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -128.86 128.13 43.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -111.69 111.68 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 60.35 35.63 20.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.86 28.98 55.76 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.7 m -132.35 104.96 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -64.72 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 8.0 m-85 -112.27 -42.83 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 35.2 p90 -140.45 -178.95 5.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 109.62 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.85 172.43 12.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.7 -177.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.97 137.95 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp 62.74 39.68 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -144.36 38.4 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.07 99.98 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -112.51 108.12 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -84.28 137.75 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.1 m -156.59 167.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -65.06 123.14 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.09 -30.49 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -63.91 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 m -97.59 32.55 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.94 152.59 33.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -132.64 145.09 55.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 128.23 28.87 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.53 2.154 . . . . 0.0 112.271 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.95 108.06 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -99.01 31.28 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.55 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.89 130.8 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.09 -29.04 13.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -87.82 150.85 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.07 165.53 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -126.12 160.95 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.53 152.06 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -86.93 119.0 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -170.02 -174.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.35 -58.02 4.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.51 109.77 2.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.504 2.136 . . . . 0.0 112.31 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.59 95.26 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.45 2.1 . . . . 0.0 112.241 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -116.41 173.01 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -136.66 127.32 27.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.25 152.49 21.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -99.8 145.91 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.094 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 36' ' ' ILE . 42.9 mt -65.45 135.57 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -120.47 -63.02 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.003 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.46 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 60.1 t90 -123.83 134.24 53.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.7 mt -125.43 105.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.27 -170.25 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.761 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -128.92 115.45 19.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.512 0.196 . . . . 0.0 110.743 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.33 159.74 15.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.517 2.145 . . . . 0.0 112.271 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.28 87.01 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.621 2.214 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.16 -50.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.628 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.32 112.73 18.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -73.24 107.88 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.421 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -166.75 121.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.811 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.64 100.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.8 mt -106.99 114.03 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.93 114.93 27.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.91 121.75 20.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.414 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.2 mt -112.62 126.79 55.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -95.9 111.18 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.26 128.01 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.96 -31.66 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.83 142.27 27.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.73 99.59 10.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.15 126.0 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.72 127.0 31.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.86 28.39 5.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.7 m -122.09 -173.91 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.752 0.31 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.9 p -111.14 -177.99 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -122.17 31.75 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.94 34.88 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.405 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -138.22 134.44 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -113.47 107.2 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 58.48 42.7 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.21 28.74 59.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -130.07 94.05 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.88 124.95 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.423 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 18.6 m-85 -113.27 -37.38 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.11 168.97 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 m -109.2 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.9 m -131.1 -176.83 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.14 164.44 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.3 137.47 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt 60.88 38.42 17.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -148.11 40.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.43 111.1 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.6 tp -125.53 122.25 36.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -93.11 145.06 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.6 m -156.64 166.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -68.0 122.81 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.3 tp -58.4 -35.49 72.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -63.93 -26.0 68.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -101.14 33.83 2.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.7 m -113.96 151.12 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -124.82 130.25 24.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.97 128.05 28.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.119 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -103.06 102.58 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.09 27.1 4.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 175.17 9.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.06 133.36 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.32 13.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.0 m -82.99 154.87 24.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.69 151.0 21.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.68 159.85 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -116.63 165.33 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.29 136.74 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.94 87.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.95 162.62 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 9.4 m-80 -59.18 -52.75 72.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 73.4 Cg_endo -74.92 111.41 3.32 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.278 1.986 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 91.41 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.589 2.192 . . . . 0.0 112.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 11.3 p90 -119.8 140.72 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -114.27 144.01 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.93 175.99 34.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.68 145.95 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.796 0.332 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.8 mt -66.27 135.43 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 1.5 mmp_? -117.94 -66.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.471 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.6 t90 -121.21 131.11 54.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.073 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.1 mt -122.36 105.97 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.41 -167.72 26.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.702 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -129.16 115.52 18.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.543 0.211 . . . . 0.0 110.725 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.42 159.53 15.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.389 2.06 . . . . 0.0 112.287 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.05 87.38 0.87 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.519 2.146 . . . . 0.0 112.287 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.25 113.55 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.33 107.78 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -166.77 121.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.9 100.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 66' ' ' PHE . 9.1 mt -108.98 117.09 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.3 114.97 27.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 112.31 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.7 mt -103.66 146.65 28.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.07 107.91 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.417 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 11.6 mt -66.14 137.06 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.95 -32.05 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -92.72 129.27 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.41 103.69 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.44 133.68 51.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.83 135.04 50.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.7 28.63 6.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.549 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.3 160.72 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -96.98 -178.02 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.17 34.16 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -141.62 133.21 26.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 49' ' ' LEU . 23.1 t80 -119.86 111.7 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 60.39 36.3 20.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.23 63.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -132.05 94.15 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -63.57 126.86 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 22.6 m-85 -112.14 -40.39 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.406 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 27.9 p90 -139.14 169.2 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 t -106.35 113.95 27.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.52 -176.86 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.12 -178.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.85 135.58 35.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 61.03 38.21 17.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -147.14 41.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.75 109.52 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.2 tp -123.99 121.67 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 79.1 m-85 -95.01 137.59 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -146.6 165.36 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -71.0 123.76 22.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.44 -38.02 76.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -24.98 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -103.67 31.49 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.16 154.94 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 130.55 24.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 134.35 59.48 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.412 2.075 . . . . 0.0 112.265 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -101.89 116.39 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.92 28.97 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -144.74 179.18 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.47 132.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.52 -34.22 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -92.59 139.78 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.05 143.97 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.71 147.86 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -112.14 147.57 35.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.06 158.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -100.83 75.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.32 -169.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.04 -58.55 1.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.781 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.408 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.4 Cg_endo -79.05 111.59 2.95 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 96.84 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.413 2.076 . . . . 0.0 112.231 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 4.4 p90 -119.64 151.26 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.45 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 10.8 m-85 -116.97 156.75 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.79 -178.4 43.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.443 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -124.56 143.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -64.92 140.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -126.38 -63.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 52.9 t90 -122.26 132.89 54.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.65 105.91 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.573 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.79 -169.47 28.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.801 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -127.05 114.9 21.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.576 0.226 . . . . 0.0 110.759 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -57.54 159.8 15.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.471 2.114 . . . . 0.0 112.233 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.9 87.89 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.505 2.136 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.99 -51.1 0.43 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 112.62 18.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.716 0.293 . . . . 0.0 110.811 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -73.27 107.83 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.973 0.416 . . . . 0.0 110.437 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -166.77 121.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.18 100.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.843 0.354 . . . . 0.0 110.673 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.43 114.45 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.9 27.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 116.78 8.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.72 135.21 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.86 108.58 19.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.99 132.56 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.09 -32.95 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.39 136.6 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -73.99 109.57 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.3 m -104.69 132.28 51.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.08 123.94 22.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.41 28.66 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 82.0 m -127.25 175.43 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 p -107.82 173.12 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -101.73 31.44 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.54 42.88 1.2 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 p -139.88 121.39 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . 28.5 t80 -104.06 119.95 40.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? 60.08 31.78 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.64 27.3 51.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 m -134.04 112.16 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -75.07 127.96 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 16.6 m-85 -111.73 -36.42 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -139.51 176.45 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 p -112.24 114.1 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.46 176.4 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 179.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.34 141.36 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp 61.52 37.31 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -147.06 38.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.27 104.23 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 112.73 16.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 58.5 m-85 -83.93 151.57 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.8 m -155.88 166.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -68.32 118.52 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.96 -33.56 70.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -64.06 -26.39 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 m -103.12 31.01 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 m -114.48 138.87 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 145.08 32.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.74 125.75 19.64 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.471 2.114 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -101.99 130.49 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.665 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -88.29 -75.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.45 ' NH1' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.173 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -65.6 145.63 55.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 p -86.93 97.94 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.49 -158.04 8.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.06 -39.77 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.97 126.39 39.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.8 -142.27 11.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt 65.23 39.39 5.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.85 0.357 . . . . 0.0 110.769 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.0 128.43 54.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.078 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.5 mtp -136.84 69.9 58.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.4 Cg_exo -55.25 -45.52 39.7 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.478 2.118 . . . . 0.0 112.439 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 33.9 Cg_exo -59.51 -19.4 51.9 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.34 2.026 . . . . 0.0 111.984 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.08 -93.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -105.67 -53.1 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -176.99 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -165.65 -58.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.56 64.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -108.32 110.7 22.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.56 174.63 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.7 t -62.51 133.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.4 -29.56 11.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.52 150.0 24.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.75 143.82 30.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.59 169.44 17.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -132.65 145.47 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.75 139.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 94.06 9.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -141.99 -177.93 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.13 -59.58 13.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.16 109.57 2.85 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.28 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.99 104.56 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.325 2.017 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -128.73 169.34 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 92' ' ' ARG . 18.4 m-85 -132.29 138.25 47.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 160.22 30.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -102.14 148.33 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 36' ' ' ILE . 35.2 mt -67.03 146.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 17.9 mmm180 -128.93 -64.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.469 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.4 t90 -122.82 134.74 54.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.7 mt -126.76 105.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.469 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.54 -172.07 32.5 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.83 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -126.08 114.87 24.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.522 0.201 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.35 159.77 15.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.479 2.12 . . . . 0.0 112.341 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.14 87.6 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.524 2.149 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.36 -50.49 0.43 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.587 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.36 112.68 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 110.833 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.23 107.81 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.556 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -166.65 121.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.8 t -64.6 101.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.841 0.353 . . . . 0.0 110.559 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.5 114.03 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.11 114.97 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.99 113.75 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -104.4 130.54 52.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 108.57 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.77 133.83 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.68 -34.38 75.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.21 136.55 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.13 101.07 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.75 135.39 47.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.07 119.3 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.1 -28.35 3.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 m -79.19 175.49 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -110.1 -177.78 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -98.88 31.23 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.82 40.61 4.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.0 p -130.87 119.04 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -111.35 120.56 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 59.85 31.03 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.71 27.43 67.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -133.97 94.38 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.76 125.23 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 47.4 m-85 -100.12 -36.41 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.419 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 22.6 p90 -139.42 177.77 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.798 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 m -111.9 114.23 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.52 178.61 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 173.86 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.93 138.48 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 60.97 40.01 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -149.17 37.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.48 105.1 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.58 119.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -85.76 139.16 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.8 m -147.73 165.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -69.26 120.25 14.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.46 -34.73 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -64.09 -26.12 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 m -102.94 31.27 4.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.5 m -108.5 159.66 16.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -132.2 135.29 26.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.3 130.63 40.76 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.423 2.082 . . . . 0.0 112.253 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -103.06 107.19 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 30.67 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.4 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 24.3 mtp85 -66.71 -30.54 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -123.55 30.38 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.33 122.81 38.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 t -110.79 152.08 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mp -139.43 101.86 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 60.56 87.65 0.13 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.08 -28.27 32.18 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.596 2.197 . . . . 0.0 112.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -134.88 152.64 51.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -70.77 -62.23 3.71 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.537 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.99 107.67 1.95 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.581 2.187 . . . . 0.0 112.291 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.7 p -86.33 -34.65 20.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.59 105.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.508 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -75.32 161.22 29.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -75.3 -43.17 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.03 145.67 19.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -169.05 89.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -92.44 94.18 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.83 34.57 4.69 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -104.31 -32.91 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.21 142.2 46.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.5 mtt -142.11 91.61 7.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.6 Cg_exo -57.7 -46.81 24.35 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.368 2.045 . . . . 0.0 112.423 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 49.6 Cg_exo -55.39 -22.28 33.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.245 1.963 . . . . 0.0 111.985 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.14 51.12 0.86 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 62.97 -79.81 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.765 0.317 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -142.14 -47.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -128.39 -45.53 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.98 62.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mt -80.06 97.66 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -138.3 179.57 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.5 t -61.22 135.97 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.43 6.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.63 149.44 25.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.65 137.29 33.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.51 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.52 143.64 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -98.32 158.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -94.98 48.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.54 175.38 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.403 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 2.1 m-80 -59.82 -58.0 22.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 29' ' ' ASN . 74.0 Cg_endo -75.6 109.77 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.586 2.191 . . . . 0.0 112.367 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.28 83.28 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.423 2.082 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -101.04 173.05 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -133.87 128.12 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.65 175.52 26.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.6 p -120.12 142.34 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.016 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.77 136.75 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 24.1 mmm180 -120.82 -63.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.462 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.5 t90 -124.37 133.02 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.0 mt -124.6 105.98 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.604 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.24 30.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.837 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -128.09 115.07 20.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.521 0.201 . . . . 0.0 110.767 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.43 159.53 16.05 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.507 2.138 . . . . 0.0 112.266 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.1 87.3 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.558 2.172 . . . . 0.0 112.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.05 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.24 112.67 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.674 0.273 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -73.13 107.86 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -166.86 121.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.795 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.68 99.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.82 0.343 . . . . 0.0 110.591 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.4 mt -106.84 114.59 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.02 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.54 106.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -94.47 128.76 41.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.01 111.6 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.65 138.5 50.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.28 -31.67 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.79 127.32 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.01 101.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.47 121.1 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 123.39 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.34 2.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -90.77 174.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -103.0 -170.27 1.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -104.9 31.33 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.32 46.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.9 p -135.9 122.51 20.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CE2' HD13 ' A' ' 49' ' ' LEU . 9.4 t80 -109.69 117.43 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 60.3 35.97 20.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.88 65.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -133.52 107.28 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -71.82 122.35 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 20.4 m-85 -103.2 -41.15 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 48.4 p90 -135.53 172.33 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -108.78 114.21 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.59 -176.79 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.26 165.15 25.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.3 141.95 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 62.6 39.6 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -150.58 40.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.46 109.4 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 tp -124.33 108.25 12.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -81.41 133.67 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.1 m -148.9 167.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -66.01 123.04 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.89 -35.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -64.08 -25.62 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 m -97.52 34.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.0 m -115.99 160.16 20.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.2 144.25 50.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.47 122.42 11.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.487 2.124 . . . . 0.0 112.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.06 101.97 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.66 30.92 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -64.49 -30.81 71.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -107.4 30.85 5.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.76 122.01 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -106.69 153.77 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -171.52 99.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 60.58 162.7 0.1 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 125.8 12.6 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.505 2.137 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.54 -54.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.79 -162.68 30.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.96 -45.74 1.38 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.507 2.138 . . . . 0.0 112.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 m -145.87 77.18 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.66 -71.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.41 -1.216 . . . . 0.0 112.465 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -67.14 -62.76 1.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -61.33 134.13 56.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.27 125.85 2.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -90.53 157.15 17.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -77.06 114.35 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.04 87.53 0.47 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.08 -35.28 74.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.25 33.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -177.87 72.13 0.22 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.6 Cg_exo -57.5 -47.18 22.91 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.596 2.197 . . . . 0.0 112.592 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 93.0 Cg_endo -81.0 -37.81 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.439 2.093 . . . . 0.0 112.364 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.54 42.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.418 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -126.61 145.96 50.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.0 t -60.6 -43.11 97.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -158.36 -51.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.56 54.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.598 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.73 97.2 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -137.07 -179.03 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.48 131.55 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.12 -30.74 8.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -81.19 137.53 35.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -72.38 151.02 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.31 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.29 157.13 45.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.29 148.14 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -90.82 83.93 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -131.36 -178.15 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.75 -58.83 13.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.91 109.61 2.88 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.64 2.226 . . . . 0.0 112.242 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.86 90.55 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.381 2.054 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -112.45 172.99 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -135.0 137.17 42.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.75 172.94 34.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.98 146.75 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -63.43 147.8 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -130.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 46.0 t90 -121.66 130.08 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.0 mt -120.91 105.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.646 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.25 -172.33 32.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.713 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -125.84 115.49 24.47 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.523 0.201 . . . . 0.0 110.702 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -57.45 159.59 15.94 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.482 2.122 . . . . 0.0 112.293 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.82 87.44 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.588 2.192 . . . . 0.0 112.309 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.3 -50.63 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.575 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.35 113.37 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.58 108.01 6.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.886 0.374 . . . . 0.0 110.477 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -166.63 121.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.776 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.0 t -63.77 100.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.52 114.8 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.748 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.93 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.39 104.78 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.596 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.49 146.16 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.4 104.86 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.13 140.62 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.9 -31.62 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.41 125.26 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.57 99.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 t -96.13 124.96 40.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.18 112.33 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.35 2.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.2 m -76.26 178.23 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -109.43 -178.3 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -106.6 35.58 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.13 44.55 2.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -135.17 129.4 33.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 14.0 t80 -122.63 122.29 38.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 60.39 31.26 20.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.51 63.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -133.5 112.77 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -65.77 123.73 20.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.415 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 7.4 m-85 -107.86 -44.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -143.37 162.31 36.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -99.73 116.57 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.75 179.47 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.09 156.71 38.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.43 139.4 51.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp 61.24 39.25 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -149.1 40.52 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.74 109.27 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -123.89 106.3 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.409 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 69.9 m-85 -77.28 142.22 39.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.4 m -155.98 166.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -68.71 123.55 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.74 -33.05 71.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.91 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -99.87 31.63 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 83.4 m -115.97 135.53 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.08 145.06 33.29 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.43 136.38 56.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.295 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -99.54 119.93 38.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.7 30.66 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.59 -30.62 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -123.5 30.6 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.73 129.05 44.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p -88.21 113.28 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -129.56 63.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.78 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.2 OUTLIER -73.18 -60.49 1.76 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 97' ' ' GLN . 60.5 Cg_endo -72.99 -45.19 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.512 2.142 . . . . 0.0 112.344 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.43 -168.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.52 147.82 27.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.95 123.36 9.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.59 2.194 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -164.41 -66.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.57 -36.43 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.482 -1.177 . . . . 0.0 112.46 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -102.74 35.83 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -128.54 177.2 7.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.75 -66.8 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.529 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -163.29 -174.99 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -89.55 152.49 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.14 -125.06 5.54 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mp 59.96 82.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.875 0.369 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.75 58.9 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.83 64.72 0.51 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.7 Cg_exo -58.33 -47.43 19.68 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.517 2.145 . . . . 0.0 112.386 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 45.2 Cg_exo -55.95 -22.39 38.17 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.29 1.994 . . . . 0.0 112.073 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.9 -154.09 17.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.52 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 60.17 -177.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.3 p -69.31 -61.34 1.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.49 -72.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.83 57.85 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.4 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 mt -91.32 107.44 19.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -135.76 -178.42 5.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 t -62.74 133.31 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.98 -39.93 2.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.556 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -78.84 147.99 32.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.69 144.83 29.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.45 137.54 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.07 130.14 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.67 143.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -85.32 57.6 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.2 -177.48 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.87 -59.2 13.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.1 109.57 2.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.626 2.217 . . . . 0.0 112.277 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.28 91.31 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.273 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -117.17 172.53 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 92' ' ' ARG . 11.7 m-85 -132.1 119.42 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -136.47 169.31 23.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -112.57 143.86 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -65.95 132.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 18.7 mmm180 -116.27 -62.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.495 ' CE2' ' CE1' ' A' ' 71' ' ' TYR . 54.0 t90 -124.96 133.14 53.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -123.88 106.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.716 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.23 -168.01 27.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.785 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.52 114.99 21.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.593 0.235 . . . . 0.0 110.681 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.5 159.57 16.17 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.402 2.068 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.73 87.5 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.6 2.2 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.07 0.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.579 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.25 112.32 18.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.656 0.265 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.29 107.92 5.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.75 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.748 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.2 t -64.46 97.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.73 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 66' ' ' PHE . 11.5 mt -106.67 115.84 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.681 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.01 114.98 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.85 107.79 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.47 132.92 40.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -101.51 105.33 16.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.98 134.35 52.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.31 -30.79 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.7 150.16 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.64 107.98 18.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 m -108.17 141.46 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 113.26 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.45 -28.31 3.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.18 162.13 29.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.93 -176.85 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.1 34.28 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 41.67 3.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.545 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 p -143.97 120.11 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' CE2' HD13 ' A' ' 49' ' ' LEU . 7.3 t80 -92.19 98.85 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 59.73 29.23 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.39 -24.81 27.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 71' ' ' TYR . 2.1 m -77.44 94.52 4.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -69.75 128.43 36.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CE1' ' CE2' ' A' ' 38' ' ' TRP . 60.9 m-85 -115.54 -42.18 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 11.9 p90 -138.99 -179.38 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.93 105.2 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 m -127.73 172.72 10.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.77 177.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.93 137.99 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 61.28 40.04 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -147.14 36.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.62 99.28 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tp -113.01 124.79 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.411 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m-85 -97.04 132.69 42.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 28.6 m -146.78 166.99 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -66.37 124.59 23.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 45.3 tp -59.85 -30.62 69.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -97.23 31.19 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.7 m -116.09 152.42 33.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.46 145.05 55.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.28 116.87 3.24 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -102.99 110.83 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.21 27.41 9.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.962 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.2 -29.99 70.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.816 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.413 ' N ' ' CD1' ' A' ' 93' ' ' PHE . 7.2 m-85 -117.06 30.08 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.77 122.0 11.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.0 m -65.6 153.66 40.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 tt 60.64 97.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 4.5 tt0 -149.97 54.27 1.5 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 97' ' ' GLN . 58.4 Cg_endo -71.78 -168.54 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.576 2.184 . . . . 0.0 112.269 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 m -163.91 136.26 5.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.01 89.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.573 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.11 -41.87 3.48 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.585 2.19 . . . . 0.0 112.26 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m 61.02 156.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 p -108.56 122.91 48.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -1.3 . . . . 0.0 112.479 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 60.79 77.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m 60.41 -177.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.03 -172.97 49.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.525 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 60.74 -177.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -70.66 -176.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.72 -173.78 17.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -129.45 160.03 34.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.81 29.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.59 81.33 1.3 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 44.4 Cg_exo -53.54 -44.97 44.53 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.386 2.057 . . . . 0.0 112.345 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 24.7 Cg_exo -62.86 -20.92 72.57 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.327 2.018 . . . . 0.0 111.947 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.6 174.17 21.64 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.562 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -76.51 -55.72 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.6 t -135.46 -47.11 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -153.58 -47.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.01 55.09 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.43 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -107.08 103.29 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -145.39 178.65 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.4 135.51 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.06 -39.93 2.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -75.13 152.12 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.62 150.95 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.57 164.59 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -132.26 143.45 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.69 148.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.68 79.95 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.42 -177.91 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.67 -59.16 13.45 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.0 109.64 2.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.297 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.62 87.14 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.442 2.095 . . . . 0.0 112.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -107.87 169.82 8.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.39 124.75 32.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.44 171.79 25.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -118.31 146.21 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.437 HG23 HD13 ' A' ' 36' ' ' ILE . 43.4 mt -66.29 135.05 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.77 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.972 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.465 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.2 t90 -123.28 132.63 54.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.0 mt -125.0 105.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.578 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -169.87 28.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.794 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -127.29 114.83 21.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.53 0.205 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.47 159.63 15.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.472 2.115 . . . . 0.0 112.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.88 87.63 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.21 -50.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.18 112.3 18.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.35 107.91 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.979 0.419 . . . . 0.0 110.536 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.74 120.95 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.61 100.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 110.715 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.6 mt -106.61 114.05 27.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.755 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.0 114.96 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.45 6.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.6 138.23 41.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -105.08 108.04 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.08 137.63 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.02 -31.63 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -90.93 124.51 35.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -62.99 100.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.94 123.9 37.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 110.02 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.57 -29.1 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.552 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.0 m -71.55 175.76 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 p -103.74 176.99 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.73 31.59 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.06 41.19 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -143.72 126.67 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -109.72 110.36 21.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 60.36 37.64 20.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.27 28.22 58.44 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.547 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 m -133.91 95.69 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 127.36 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 27.2 m-85 -109.83 -30.78 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -147.0 -178.09 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -117.12 115.27 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.0 m -139.14 178.42 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.87 -178.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.3 mt -92.37 138.27 31.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm 61.63 39.84 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -148.6 36.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.27 100.56 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.8 tp -120.71 122.64 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -90.23 149.19 22.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.0 m -156.54 166.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -68.47 122.27 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 tp -60.04 -33.05 71.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.89 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -99.71 31.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.6 m -115.96 160.51 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.45 141.11 32.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 135.35 66.64 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.487 2.124 . . . . 0.0 112.241 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -99.52 119.51 38.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.66 33.51 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -66.43 -30.21 70.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -132.11 35.57 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.78 129.31 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 p -88.86 129.3 35.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 mt -164.05 121.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -139.88 94.87 8.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.06 -28.55 19.56 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.543 2.162 . . . . 0.0 112.374 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.84 132.73 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.72 149.46 19.54 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.66 62.47 2.98 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.595 2.197 . . . . 0.0 112.287 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.3 t -90.96 -63.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.8 m -160.54 162.55 33.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.51 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -140.31 -48.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -84.21 -59.68 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.13 94.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.599 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -135.88 143.51 45.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -126.61 30.35 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.94 116.16 1.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.6 -78.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.53 73.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.17 64.91 0.23 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.1 Cg_exo -58.11 -46.92 22.49 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.502 2.135 . . . . 0.0 112.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 48.4 Cg_exo -55.42 -22.39 33.92 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.295 1.996 . . . . 0.0 112.068 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.26 -25.44 12.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.637 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -58.28 -171.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.964 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 t -72.24 -70.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -105.94 -38.13 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 55.02 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.16 98.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.36 179.24 7.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.31 124.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 -35.86 4.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.593 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -76.33 142.24 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.74 150.95 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 159.61 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -123.51 145.95 48.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.73 145.7 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 78.35 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.53 -170.25 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.24 -58.61 1.9 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.87 111.52 2.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.34 106.98 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.499 2.133 . . . . 0.0 112.235 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -135.15 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.04 144.62 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.65 158.95 29.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -106.83 141.09 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -61.59 134.85 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 31.5 mmm180 -118.6 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CE2' ' CD1' ' A' ' 71' ' ' TYR . 49.0 t90 -125.08 131.67 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -122.67 105.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.4 -169.38 28.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.79 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.3 115.27 21.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.495 0.188 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.4 159.64 15.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.447 2.098 . . . . 0.0 112.289 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.82 87.5 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.549 2.166 . . . . 0.0 112.369 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.17 -50.66 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.27 112.34 18.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.763 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.31 107.92 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.394 . . . . 0.0 110.539 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.7 121.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.63 100.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.5 mt -107.49 115.61 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.88 114.92 27.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.44 103.54 1.27 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.03 142.85 27.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -111.99 108.94 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.05 134.95 53.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -65.26 -33.32 75.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.91 151.49 20.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -87.87 104.72 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.3 t -105.96 121.32 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 135.56 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.17 -28.52 7.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.1 m -82.77 -179.9 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -110.23 -175.45 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -103.99 33.22 3.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.84 40.18 3.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.61 118.97 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 49' ' ' LEU . 6.5 t80 -98.03 101.36 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 59.23 29.12 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 -20.47 49.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.704 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -86.79 96.91 10.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -72.9 123.9 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 38' ' ' TRP . 67.5 m-85 -102.65 -42.75 5.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 30.3 p90 -135.81 168.27 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -106.98 109.04 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.81 173.08 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.09 171.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.65 135.68 36.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp 61.48 47.17 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -153.76 38.1 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.02 106.67 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -123.51 108.78 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.406 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.1 m-85 -80.1 139.54 36.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.8 m -151.28 166.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -65.95 121.93 16.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.17 -33.32 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.73 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 m -98.31 29.73 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.1 m -116.0 150.61 36.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.1 145.03 55.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 128.11 28.29 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.514 2.142 . . . . 0.0 112.248 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -100.24 102.33 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.79 25.87 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -64.86 -29.69 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -113.07 27.38 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.75 129.4 38.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.7 m -72.74 115.92 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.9 mt -149.74 82.45 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -123.99 151.64 65.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.93 173.81 10.58 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.568 2.179 . . . . 0.0 112.29 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.0 m -120.49 120.39 35.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.21 165.97 24.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.22 106.05 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.6 2.2 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.3 t -158.51 157.63 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.0 p -169.05 113.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.546 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -107.24 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -121.92 35.08 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.1 174.19 42.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.569 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.66 34.01 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -106.5 154.97 20.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.39 -130.16 9.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mt -124.3 123.91 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.57 158.34 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.2 mtp -157.65 87.65 2.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.2 Cg_exo -58.1 -47.15 21.37 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.549 2.166 . . . . 0.0 112.365 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 48.4 Cg_exo -55.39 -22.08 32.39 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.292 1.994 . . . . 0.0 112.104 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.08 63.51 0.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 59.97 50.61 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.5 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -133.67 -58.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.33 60.97 0.2 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -90.17 107.36 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.27 178.06 8.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.41 138.05 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.47 2.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -75.52 141.77 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mt -70.88 148.21 48.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.45 153.22 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.3 tt0 -120.14 153.67 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.5 t -124.35 135.69 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -75.91 81.54 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -125.69 177.35 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.07 -58.73 17.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.27 109.73 2.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.94 85.38 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.371 2.047 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 14.7 p90 -106.88 172.8 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 10.9 m-85 -140.05 115.67 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.55 -174.14 13.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.73 145.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 111.062 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.487 HG22 HD13 ' A' ' 36' ' ' ILE . 41.3 mt -60.43 153.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -135.44 -67.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.49 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 45.8 t90 -120.64 130.95 54.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.4 mt -122.03 105.99 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.514 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.19 -168.56 27.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.818 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -129.57 115.37 18.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.552 0.215 . . . . 0.0 110.761 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.58 159.52 16.56 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.344 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.03 87.72 0.85 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.593 2.195 . . . . 0.0 112.23 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.4 -50.06 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.556 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.28 112.16 18.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.12 107.72 5.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 110.58 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -166.98 124.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.41 101.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.669 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 mt -108.15 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.31 102.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.574 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.7 mt -88.33 144.25 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.7 111.76 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 13.2 mt -68.56 152.44 45.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.21 -31.71 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -98.15 126.76 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -68.88 96.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.69 128.45 53.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.65 121.01 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 138.42 -28.18 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.569 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m -87.08 167.82 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 -176.93 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.47 31.38 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.32 37.83 3.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -136.56 119.0 15.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -99.81 106.79 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 60.7 40.43 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 28.36 60.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 m -132.74 93.91 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 134.45 57.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.49 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -117.45 -39.17 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -141.58 -178.38 5.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 t -116.71 112.92 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 m -144.05 175.43 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.31 154.56 34.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.06 147.55 44.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt 61.92 33.28 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -147.61 38.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.06 100.33 3.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.424 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tp -115.06 108.75 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -77.66 144.1 37.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.7 m -157.37 166.13 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -70.2 123.95 22.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 tp -58.96 -36.16 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -25.66 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.5 m -100.55 31.19 3.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 99.6 m -112.28 150.32 31.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -123.37 141.85 37.21 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.65 126.93 24.03 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.525 2.15 . . . . 0.0 112.23 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.93 98.34 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.3 29.72 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -66.33 -30.42 70.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -123.02 30.5 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.996 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.77 122.61 42.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 97.8 p -71.22 107.89 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.84 -46.44 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -60.73 1.51 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.04 -171.25 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.524 2.149 . . . . 0.0 112.297 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.79 83.31 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.04 156.49 50.4 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 178.17 4.96 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.575 2.183 . . . . 0.0 112.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -126.84 -48.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -155.12 -59.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.543 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 112.72 6.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -80.67 106.93 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.93 178.7 33.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.59 168.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.65 94.23 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.34 75.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -117.89 150.97 38.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.79 36.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -164.07 65.79 1.36 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.7 Cg_exo -58.59 -47.36 19.27 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.556 2.171 . . . . 0.0 112.463 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 51.3 Cg_exo -55.1 -22.52 31.93 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.244 1.963 . . . . 0.0 112.041 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.69 -55.15 0.72 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -145.17 97.52 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.31 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.29 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -124.26 -43.92 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.9 71.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 mt -100.17 111.48 23.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -142.69 174.04 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.48 132.1 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.24 -35.09 5.25 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.0 m -80.22 151.69 29.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.328 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.88 150.98 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.45 156.39 41.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -131.06 144.07 51.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.0 158.85 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 37.04 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.36 177.73 8.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.67 -58.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.39 109.67 2.91 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.587 2.191 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.7 86.91 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.406 2.071 . . . . 0.0 112.282 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -106.56 171.83 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -132.67 135.4 45.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.17 -162.72 11.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.95 148.42 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -64.98 137.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 28.0 mmm180 -121.76 -60.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.476 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.5 t90 -128.33 133.52 48.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.6 mt -124.39 106.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.639 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.01 -168.39 28.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.724 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.3 114.86 21.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.503 0.192 . . . . 0.0 110.688 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.69 159.65 16.61 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.485 2.123 . . . . 0.0 112.251 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.76 87.87 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.519 2.146 . . . . 0.0 112.28 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -51.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.528 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.695 0.283 . . . . 0.0 110.751 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.27 107.92 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -166.81 120.94 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.775 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.71 98.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.98 115.21 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.96 114.94 27.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.76 111.43 3.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.0 mt -97.99 130.7 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.34 108.55 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mt -66.09 148.42 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.11 -32.72 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -100.39 148.33 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.73 83.76 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.3 m -77.24 126.52 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.77 114.15 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.66 -28.33 2.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.0 m -82.26 173.82 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.2 p -105.18 -177.21 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -98.56 31.55 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.79 43.52 2.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.2 p -137.7 119.04 14.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -102.18 107.83 19.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 59.72 39.9 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.31 28.34 64.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 m -130.73 94.03 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -70.06 120.22 15.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.423 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 49.9 m-85 -101.3 -34.92 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 21.0 p90 -140.69 -178.48 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.9 t -114.47 114.91 26.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -141.13 171.55 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.54 179.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt -91.94 142.65 27.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp 61.55 35.99 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -147.18 36.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.54 105.82 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -124.01 114.21 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -84.58 141.63 30.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -153.62 166.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -64.61 131.21 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.8 tp -70.47 -31.71 68.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -27.51 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.0 m -104.23 31.76 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.28 135.33 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.18 126.8 30.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 127.47 25.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.298 1.999 . . . . 0.0 112.311 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.32 102.3 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.73 30.42 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -66.55 -29.06 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -131.59 30.16 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.31 122.03 42.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.047 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.7 t -68.25 133.47 48.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.4 mt -143.41 122.71 13.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.64 103.96 18.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.72 136.6 21.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.452 2.101 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -95.26 -44.67 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.56 -150.36 5.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.23 -35.34 14.39 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.591 2.194 . . . . 0.0 112.263 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 p -176.26 -49.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -168.77 172.88 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.448 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -62.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -59.81 156.16 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.5 170.59 0.39 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.73 -64.7 0.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.769 0.319 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 67.82 92.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.57 -44.7 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.446 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mt -107.08 82.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.69 130.55 23.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 ttm -134.04 90.32 26.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.478 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.8 Cg_exo -55.8 -45.85 35.91 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.507 2.138 . . . . 0.0 112.332 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 31.6 Cg_exo -58.54 -20.19 48.39 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.278 1.985 . . . . 0.0 112.02 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.16 -143.43 1.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -86.87 -46.09 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.1 p -175.18 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.66 -48.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.811 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.48 61.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -102.34 111.49 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.56 178.98 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.56 141.36 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.39 -38.32 3.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 m -82.57 158.17 23.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -90.84 150.26 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.39 158.07 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.6 tt0 -119.94 148.73 43.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.87 148.8 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -92.24 83.02 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.24 -168.77 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.71 -58.6 1.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.5 Cg_endo -79.03 111.3 2.91 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.05 109.36 0.92 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.416 2.077 . . . . 0.0 112.23 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 2.9 p90 -132.52 164.85 25.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.406 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 30.8 m-85 -133.32 137.99 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.87 174.17 32.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -117.56 139.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.0 mt -60.51 136.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.67 -64.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.486 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 46.5 t90 -120.15 131.31 54.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mt -122.08 106.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.574 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.35 -168.13 27.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.786 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -127.62 115.3 21.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.502 0.191 . . . . 0.0 110.783 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.43 159.87 15.23 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.497 2.132 . . . . 0.0 112.27 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.95 87.56 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -50.87 0.43 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.621 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.19 112.6 18.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.268 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -73.46 107.87 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -166.87 121.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.16 99.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.66 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -108.24 117.25 33.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.92 114.98 27.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 105.01 1.44 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.443 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.49 143.41 26.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -109.47 109.68 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.46 135.15 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.6 -35.23 78.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.23 134.23 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -60.14 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.3 t -86.38 123.95 32.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 117.16 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.45 42.32 1.5 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.5 m -136.63 169.91 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -104.19 -179.29 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -107.87 31.4 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.63 28.7 5.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.43 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 p -128.42 119.04 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -107.62 115.29 29.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 60.22 36.42 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.39 65.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.555 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.2 m -133.86 94.43 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 134.06 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 26.4 m-85 -115.63 -38.4 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -139.14 -178.95 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.58 107.66 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.47 -177.88 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.61 161.56 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.83 144.7 38.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 60.44 35.93 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -148.69 38.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.51 101.67 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.5 tp -117.21 113.54 22.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -84.13 139.12 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.8 m -148.76 166.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -68.23 122.51 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.82 -38.61 79.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -63.98 -24.64 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -101.32 33.88 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.25 145.66 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -117.46 141.94 29.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.27 126.79 23.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.473 2.115 . . . . 0.0 112.329 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -103.04 102.19 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.7 30.72 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.39 -30.59 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -116.12 27.6 9.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.04 125.42 48.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.191 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 m -94.14 134.64 36.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.7 tp -165.01 126.44 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.986 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -112.73 150.57 42.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.17 -177.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.32 -64.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.11 93.6 2.31 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -50.76 125.04 14.8 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.581 2.187 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m 60.75 74.5 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.9 m -81.38 156.29 25.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.535 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -106.84 132.92 52.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.09 91.56 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.26 161.49 35.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -155.63 -48.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 p -84.41 156.3 21.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.53 45.86 0.18 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -111.87 33.53 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.44 45.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.445 ' N ' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -139.72 61.06 17.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 10' ' ' MET . 32.6 Cg_exo -59.38 -47.88 15.43 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.406 2.071 . . . . 0.0 112.805 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 85.1 Cg_endo -83.23 -44.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.483 2.122 . . . . 0.0 112.758 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.28 -139.31 6.14 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.785 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -142.2 140.85 32.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.39 -78.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -105.43 -42.98 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.98 59.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.69 102.27 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.58 136.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.58 -38.53 3.09 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.04 148.88 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -83.7 149.22 26.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.52 146.45 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -110.53 154.31 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.31 152.82 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.23 106.85 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.29 -169.66 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.28 -58.52 1.9 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 109.54 2.81 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.67 117.78 5.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.359 2.039 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -138.41 161.98 35.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -128.42 134.97 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.67 -169.24 19.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.4 146.36 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.076 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 36' ' ' ILE . 43.5 mt -66.38 141.22 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 1.1 mmp_? -121.97 -66.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.466 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.7 t90 -120.62 131.49 54.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mt -121.94 105.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.62 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.85 -168.79 28.55 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.78 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.67 115.45 20.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.45 159.45 16.29 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.393 2.062 . . . . 0.0 112.206 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.84 87.46 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.542 2.161 . . . . 0.0 112.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.58 -50.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.577 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.26 112.38 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 110.795 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.12 107.95 5.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.864 0.364 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -166.75 120.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.747 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.39 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.849 0.357 . . . . 0.0 110.651 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 66' ' ' PHE . 29.2 mt -108.15 117.24 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.786 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.01 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.46 103.75 1.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.29 151.95 21.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -117.54 104.82 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.19 135.99 52.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -70.02 -36.04 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.83 126.21 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.03 87.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.0 m -91.36 139.17 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.84 131.61 44.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.91 -28.4 7.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.16 164.25 26.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.45 -176.6 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -109.73 31.35 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.39 41.07 2.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.8 p -141.72 136.73 31.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 10.3 t80 -108.63 108.4 19.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 58.35 29.42 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.32 -20.44 47.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.591 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 m -84.34 108.97 17.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -77.46 128.32 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.416 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 48.7 m-85 -111.48 -46.58 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.409 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 12.6 p90 -133.24 168.58 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -108.79 103.53 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.05 173.91 10.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.72 157.4 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.8 145.63 40.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 60.32 31.43 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -143.6 40.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.51 109.3 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -121.16 112.87 19.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -83.4 138.27 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.7 m -151.83 167.03 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -67.06 123.2 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.0 tp -59.23 -35.7 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -25.73 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.3 m -98.15 29.55 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 80.0 m -116.01 149.57 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.95 143.34 46.5 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.2 133.5 55.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.518 2.145 . . . . 0.0 112.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -102.97 113.54 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.75 30.25 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -30.14 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -122.66 30.66 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.33 131.4 46.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.42 161.02 14.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.99 -38.07 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.412 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 2.8 mp0 -75.87 -61.5 0.87 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 97' ' ' GLN . 69.7 Cg_endo -74.54 176.91 9.1 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.513 2.142 . . . . 0.0 112.387 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m 59.72 175.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.44 63.62 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.15 -49.06 18.62 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.617 2.211 . . . . 0.0 112.32 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.7 m -99.29 158.84 15.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -142.32 174.68 10.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.329 -1.262 . . . . 0.0 112.528 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -107.19 102.77 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 p -142.62 31.27 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.29 -144.12 48.16 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -66.36 -174.19 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -131.97 172.15 12.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.73 59.18 0.37 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mt -93.04 94.64 8.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.7 85.7 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -168.8 67.31 0.68 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.442 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.3 Cg_exo -57.24 -47.04 24.23 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.574 2.183 . . . . 0.0 112.606 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 99.0 Cg_endo -80.03 -31.36 1.82 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.393 2.062 . . . . 0.0 112.445 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.35 -153.61 21.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 60.55 -178.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -52.58 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.79 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.58 76.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt -93.56 104.57 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.37 177.94 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.54 140.09 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.63 -28.4 14.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.417 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.7 m -92.89 158.29 15.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mt -89.54 150.99 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.28 159.1 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -122.72 145.2 48.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.4 t -112.62 127.78 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.63 125.05 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.55 174.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.67 -59.61 13.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.1 109.78 2.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.283 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.96 87.44 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.363 2.042 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -104.38 160.09 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.15 127.64 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.06 156.82 27.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.59 142.44 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.412 HD12 HG23 ' A' ' 36' ' ' ILE . 37.8 mt -62.25 146.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 19.3 mmm180 -130.36 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.46 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 57.7 t90 -117.61 133.32 56.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 mt -124.92 105.95 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.47 -169.49 29.15 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.837 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -128.15 115.07 20.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.526 0.203 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.51 159.72 15.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.498 2.132 . . . . 0.0 112.317 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.08 87.8 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.553 2.169 . . . . 0.0 112.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.27 -50.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.25 112.0 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.669 0.271 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -73.55 107.6 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -167.0 120.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.694 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.4 t -62.09 105.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.612 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 mt -110.19 118.28 35.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.25 114.93 27.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.4 102.97 1.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.3 mt -90.48 136.41 33.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -103.66 108.56 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.07 134.88 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.02 -31.44 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.93 127.17 48.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.13 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.48 123.81 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.17 116.94 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.23 -28.62 2.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.4 m -89.11 175.0 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.87 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -98.33 34.03 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.73 38.75 3.34 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.01 118.99 21.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -110.21 108.62 18.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.26 35.88 20.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.2 28.84 63.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -127.82 94.02 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -62.0 122.63 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 15.7 m-85 -108.68 -40.35 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 24.1 p90 -147.15 174.19 11.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.5 t -108.68 118.0 35.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.88 -178.95 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.99 156.67 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.33 142.55 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp 60.96 37.08 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -147.88 38.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.9 98.97 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 tp -112.43 103.29 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -73.17 142.77 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 m -158.03 167.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.012 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -74.12 126.21 30.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 111.159 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.35 -42.4 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -63.97 -22.71 67.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.1 m -98.25 29.43 3.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.0 m -115.96 169.99 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.99 143.23 30.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 128.33 29.75 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.453 2.102 . . . . 0.0 112.254 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.01 116.84 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 32.4 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -31.62 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -134.3 31.66 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.98 136.88 45.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -85.64 146.72 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 tp -103.52 -63.0 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 60.66 78.28 0.33 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.38 107.36 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.537 2.158 . . . . 0.0 112.332 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m -142.42 -50.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 102.53 -150.31 17.98 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.69 169.11 19.58 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.573 2.182 . . . . 0.0 112.254 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -111.39 -52.22 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.38 -51.93 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.32 -1.266 . . . . 0.0 112.467 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 m -78.03 136.32 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.51 162.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.3 -46.16 2.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t 60.67 86.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -146.0 -54.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.17 121.55 6.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mt -111.61 36.9 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.49 80.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.15 75.21 0.52 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.3 Cg_exo -58.28 -47.39 19.94 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.536 2.157 . . . . 0.0 112.38 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 44.4 Cg_exo -56.27 -21.66 37.28 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.243 1.962 . . . . 0.0 112.117 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.41 -28.25 6.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.403 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -117.26 -51.33 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 t -175.85 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -130.84 -46.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.89 56.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt -76.37 97.41 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 175.21 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.5 t -58.72 122.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.21 -28.52 9.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -88.13 158.67 18.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.48 151.04 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.84 167.54 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.4 tt0 -133.56 148.87 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.69 156.22 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -96.22 62.41 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -101.99 -172.93 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.07 -58.7 3.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.02 111.72 2.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.697 2.264 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 89.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.473 2.115 . . . . 0.0 112.203 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -109.68 168.84 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 29.5 m-85 -138.32 112.92 8.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.79 176.89 16.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -121.48 144.29 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.1 mt -62.41 136.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 28.1 mmm180 -124.33 -59.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.497 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 60.4 t90 -128.21 134.09 48.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.5 mt -124.88 106.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.474 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.47 -171.78 33.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.735 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -128.1 115.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.534 0.206 . . . . 0.0 110.701 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.57 159.61 16.31 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.449 2.1 . . . . 0.0 112.36 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 87.3 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.547 2.165 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.08 -50.05 0.42 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.552 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.3 112.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 110.821 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.41 107.77 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.463 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -166.88 121.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.77 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.95 102.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 mt -108.05 115.45 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.76 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.25 122.98 26.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.4 mt -114.77 130.01 56.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.78 105.83 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.52 139.56 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.45 -43.19 86.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.26 131.25 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -73.19 108.89 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.58 137.34 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.45 106.86 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.72 -28.63 2.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.5 m -66.61 169.11 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -102.66 -178.62 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -110.48 30.86 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.86 40.92 2.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 128.65 20.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -109.9 107.61 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 60.3 39.6 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.45 28.09 62.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 m -130.76 94.83 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.99 132.57 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 13.6 m-85 -118.48 -40.98 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 27.9 p90 -141.15 -178.46 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 m -115.32 112.72 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.78 -177.73 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.48 -176.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -93.37 140.24 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt 60.91 39.97 16.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -148.72 41.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.29 107.42 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -126.61 110.88 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -85.01 137.74 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 m -145.78 167.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -68.54 121.41 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 tp -59.65 -29.94 68.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -63.93 -28.01 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.5 m -105.64 31.53 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.49 139.78 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.64 145.16 31.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 106.66 2.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.489 2.126 . . . . 0.0 112.363 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -66.54 129.81 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -109.15 30.98 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -66.96 -31.01 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -127.26 28.01 5.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.04 122.01 43.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 p -99.51 121.79 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.7 tt -92.67 -31.74 15.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.38 149.24 95.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.77 140.23 57.38 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.609 2.206 . . . . 0.0 112.263 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.11 132.16 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.58 167.01 15.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.08 -30.74 41.8 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.62 2.214 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.7 t -102.13 177.43 4.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.2 t -157.19 156.09 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.553 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -80.19 95.94 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -74.73 93.22 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.67 74.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -71.87 107.28 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -74.11 122.72 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.93 175.42 54.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -130.53 -178.93 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.92 103.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -173.49 68.27 0.35 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.1 Cg_exo -57.21 -47.28 23.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.636 2.224 . . . . 0.0 112.542 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 98.2 Cg_endo -80.21 -35.75 0.61 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.354 2.036 . . . . 0.0 112.48 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.08 -179.31 18.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 60.34 179.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 t -74.99 -64.68 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -111.3 -60.38 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.61 61.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.523 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.34 98.86 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -139.56 178.43 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 t -62.86 131.5 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.37 -31.61 8.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -85.81 151.81 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.3 150.51 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.28 156.23 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.4 tt0 -123.79 148.11 46.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 52' ' ' LEU . 24.8 t -112.94 157.9 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -97.16 39.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.14 -177.98 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.21 -58.53 12.1 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.47 109.64 2.9 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.606 2.204 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.35 94.87 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 8.2 p90 -122.25 172.97 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.1 m-85 -131.39 121.13 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.65 166.59 25.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.81 147.4 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.081 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.493 HD11 HG23 ' A' ' 36' ' ' ILE . 40.1 mt -64.59 139.37 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -124.53 -60.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 59.6 t90 -127.33 133.77 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mt -125.02 105.93 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.513 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.06 -169.12 29.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.08 115.5 18.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.578 0.227 . . . . 0.0 110.709 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.38 159.63 15.61 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.52 2.147 . . . . 0.0 112.328 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.13 87.49 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.89 -50.36 0.42 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.631 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.26 113.26 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -73.37 107.81 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.429 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -166.94 121.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.46 100.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 66' ' ' PHE . 6.9 mt -108.06 116.76 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.21 114.93 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.24 113.69 5.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.415 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' CD1' ' CG2' ' A' ' 26' ' ' VAL . 14.3 mt -101.63 131.59 47.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 6.8 mt -67.91 143.22 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.4 -31.62 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.54 133.89 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.57 97.56 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.14 129.41 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.01 131.38 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.81 28.39 4.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.2 m -137.75 151.93 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -88.69 -173.42 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -110.14 31.87 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.55 44.75 1.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.14 119.13 12.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 49' ' ' LEU . 28.6 t80 -109.64 118.53 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 60.38 32.2 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.08 28.44 60.4 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -131.59 104.52 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -64.3 129.56 40.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -113.11 -37.5 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -151.59 172.81 15.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.6 t -107.17 116.86 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.7 m -143.95 171.15 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 152.75 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.11 146.29 50.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt 60.22 33.82 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -149.04 37.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.68 99.16 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 62.8 tp -119.04 123.16 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.09 141.35 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.1 m -149.07 166.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -67.97 120.68 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.2 tp -59.51 -29.1 67.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -28.07 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.8 m -102.17 31.63 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.6 m -113.92 158.04 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.5 145.17 39.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -67.83 109.4 1.89 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.388 2.059 . . . . 0.0 112.224 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -65.73 131.53 46.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -100.26 30.1 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -31.39 72.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -122.24 30.02 6.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.99 123.38 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -109.07 134.97 50.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.76 31.73 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 23.5 tt0 -161.37 53.84 0.49 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 97' ' ' GLN . 58.1 Cg_endo -71.59 106.72 2.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.594 2.196 . . . . 0.0 112.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.46 110.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.72 -91.21 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.37 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.46 -33.13 14.45 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.539 2.159 . . . . 0.0 112.209 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 121.43 35.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.4 p -148.42 111.6 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.486 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -130.05 -62.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -94.88 132.25 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.73 -141.47 3.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.3 p -176.35 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -39.16 83.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.17 170.92 43.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.44 -178.97 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.64 95.84 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.81 146.46 17.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.78 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.5 Cg_exo -56.11 -45.99 34.16 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.454 2.102 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 31.8 Cg_exo -58.37 -20.28 47.46 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.282 1.988 . . . . 0.0 112.05 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.75 -91.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.88 -66.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.21 -42.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -152.44 30.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.07 53.63 4.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -106.45 97.67 7.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.72 178.36 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.2 t -58.29 143.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.72 -45.66 2.53 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -70.76 153.07 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 mt -82.37 148.9 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.83 148.66 29.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.238 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -115.45 151.3 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.62 132.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.12 -178.93 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.77 -59.38 14.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.81 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.0 109.53 2.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.175 . . . . 0.0 112.236 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.08 104.33 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.452 2.101 . . . . 0.0 112.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 8.4 p90 -133.14 158.83 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -121.8 148.9 44.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.85 163.2 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.4 p -106.26 147.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.312 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG21 HD11 ' A' ' 36' ' ' ILE . 37.0 mt -66.34 144.1 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -126.13 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.455 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.9 t90 -119.96 132.43 55.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.0 mt -124.35 105.89 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.12 -167.08 25.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.857 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -127.66 114.96 20.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.473 0.178 . . . . 0.0 110.735 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.41 159.72 15.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.85 87.69 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.29 -51.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.57 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.27 113.51 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.722 0.296 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.48 107.76 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -166.76 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.48 99.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 0.0 110.649 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 66' ' ' PHE . 16.7 mt -107.82 116.09 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.02 116.39 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.8 mt -104.01 147.38 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -110.89 108.64 18.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.64 135.49 48.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -69.21 -38.28 78.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.12 118.33 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.28 98.1 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.3 123.49 47.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.01 139.03 57.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.02 -28.57 8.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.504 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 78.6 m -76.53 172.44 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -100.71 179.98 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.7 p30 -108.96 31.22 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.84 42.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 p -139.29 118.95 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.405 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 31.6 t80 -103.74 112.98 26.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 60.2 38.19 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.27 28.38 66.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -132.77 93.97 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -61.26 140.26 57.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 17.5 m-85 -124.9 -44.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -133.57 170.66 15.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.34 107.37 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.48 -176.83 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.04 170.08 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.95 142.96 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm 62.43 38.14 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -151.32 39.49 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.41 111.29 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.408 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 41.0 tp -130.1 122.67 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 66' ' ' PHE . 63.0 m-85 -96.38 147.3 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 m -155.81 165.11 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -68.72 122.81 19.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.06 -36.63 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -25.52 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.58 33.9 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 54.2 m -114.55 142.54 46.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 145.17 30.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.737 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.51 110.43 2.87 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.438 2.092 . . . . 0.0 112.282 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.55 131.92 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.69 30.15 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -62.57 -45.61 92.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.87 24.09 12.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.08 123.3 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.9 m -76.33 152.02 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.5 38.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -138.74 93.62 10.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.7 149.7 43.71 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.527 2.151 . . . . 0.0 112.388 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.2 t -79.8 82.22 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.35 155.81 20.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.94 -31.34 19.93 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.177 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.4 p -126.07 156.38 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.71 107.48 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.546 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -154.86 81.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.63 77.94 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.55 137.88 9.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 m -133.24 128.91 36.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -65.76 -40.39 92.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.48 74.36 1.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.0 mt -93.97 -28.98 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.63 41.01 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.2 mtm -132.76 72.45 77.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 35.5 Cg_exo -58.27 -47.22 20.64 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.484 2.122 . . . . 0.0 112.406 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 48.7 Cg_exo -55.24 -22.42 32.65 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.221 1.947 . . . . 0.0 112.039 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.91 27.61 40.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.561 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -132.0 -68.02 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -165.95 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -105.28 -74.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.78 75.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt -101.16 97.06 7.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.86 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.41 128.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.7 -30.24 10.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.2 m -87.36 145.44 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.92 143.69 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.44 144.73 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.9 tt0 -118.41 144.11 46.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.7 t -106.78 158.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -97.39 37.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -178.08 5.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.66 -59.13 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.93 109.51 2.86 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.697 2.265 . . . . 0.0 112.269 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.56 81.69 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.422 2.081 . . . . 0.0 112.294 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.446 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 3.8 p90 -100.85 173.01 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 19.9 m-85 -136.52 123.4 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.31 -155.35 6.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.47 148.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.08 137.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -121.61 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.468 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.7 t90 -127.92 134.5 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.4 mt -125.56 105.96 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.531 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.468 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.52 -168.01 28.05 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.744 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.4 115.34 18.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.733 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.38 159.66 15.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.396 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.1 87.46 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.587 2.192 . . . . 0.0 112.295 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.71 -50.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.19 112.02 18.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.655 0.264 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.48 107.76 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.428 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -166.95 121.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.748 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.53 100.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mt -108.61 117.0 33.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.98 114.91 27.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 111.86 4.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 mt -100.89 130.11 46.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -97.51 111.37 23.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD23 ' CG ' ' A' ' 32' ' ' PHE . 9.3 mt -71.83 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.68 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -85.37 136.87 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.2 69.87 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.92 120.58 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.76 109.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.36 -27.99 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.7 m -87.05 -179.39 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.2 p -101.04 -176.67 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -111.58 31.4 6.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.08 33.06 3.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -132.51 119.15 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.415 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 24.4 t80 -112.48 107.13 15.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 60.73 38.64 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.55 28.47 71.01 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -128.21 93.95 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -60.63 131.92 52.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 21.1 m-85 -120.9 -42.42 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -149.8 163.43 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 t -100.5 120.3 39.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -143.56 170.46 15.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.07 152.95 26.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.92 142.4 56.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt 61.8 40.12 13.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -151.68 39.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 107.11 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 tp -123.83 116.79 23.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 66' ' ' PHE . 91.0 m-85 -90.8 141.74 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.7 m -152.99 166.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -66.76 122.4 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.39 -29.63 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -64.01 -28.05 69.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 m -101.58 33.8 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 52.7 m -109.87 163.63 13.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.01 145.13 37.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.51 108.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.435 2.09 . . . . 0.0 112.203 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.31 132.12 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.83 26.59 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -65.15 -29.64 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -108.98 25.85 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.43 121.95 29.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 m -74.52 107.99 7.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.75 31.7 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -136.1 73.49 58.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.3 179.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.518 2.146 . . . . 0.0 112.334 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m -155.3 146.16 22.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.08 -73.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 110.25 2.53 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.58 2.187 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.1 t -68.15 147.31 52.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -128.1 114.85 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.338 -1.256 . . . . 0.0 112.568 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t 60.9 158.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -67.35 174.19 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.8 27.76 17.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.531 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -131.47 70.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.799 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t 58.55 22.56 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.28 26.41 36.4 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.709 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -145.78 153.76 41.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.2 30.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -170.57 65.98 0.48 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.449 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.2 Cg_exo -57.09 -47.24 23.75 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.559 2.173 . . . . 0.0 112.62 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 98.1 Cg_endo -79.93 -35.37 0.73 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.359 2.039 . . . . 0.0 112.332 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.93 43.24 2.47 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -110.22 171.05 7.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -70.88 90.84 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 67.05 -70.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.04 61.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.5 103.57 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.76 130.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.67 -28.05 15.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 m -90.44 157.71 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.71 150.85 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 166.27 29.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -130.91 148.06 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 21.3 t -111.19 149.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.166 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -90.5 91.35 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -173.51 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -71.15 -58.8 3.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.88 111.28 2.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.6 87.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.475 2.117 . . . . 0.0 112.219 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CZ ' ' HB ' ' A' ' 26' ' ' VAL . 17.3 p90 -109.36 140.81 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.48 149.45 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.58 -177.51 34.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -127.67 145.65 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 HD11 HG21 ' A' ' 36' ' ' ILE . 37.0 mt -64.95 140.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 22.9 mmm180 -125.31 -61.49 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.473 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.6 t90 -127.39 132.55 50.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 mt -123.96 106.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.594 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.78 30.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.755 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -126.51 114.91 23.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.674 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.52 159.55 16.28 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.466 2.111 . . . . 0.0 112.275 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.72 87.45 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.544 2.162 . . . . 0.0 112.269 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.85 -51.3 0.41 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 113.14 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.36 108.02 5.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -166.72 120.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.5 t -64.04 99.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.732 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.404 HD12 ' CZ ' ' A' ' 66' ' ' PHE . 33.5 mt -106.19 113.95 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.751 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.92 27.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.84 114.47 6.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.418 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.2 mt -103.58 131.44 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -100.01 105.96 17.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.01 129.96 41.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.65 -31.15 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.34 122.72 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.11 91.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 22.8 m -101.71 141.47 34.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.75 133.32 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 28.46 5.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.2 m -134.06 143.31 47.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 p -80.02 -176.31 5.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -110.78 31.21 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.79 50.44 1.09 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.9 133.33 23.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.408 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 31.5 t80 -125.79 114.45 18.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 66' ' ' PHE . 21.4 mtm180 60.34 36.25 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.06 28.55 71.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.7 m -126.39 96.47 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -60.67 120.69 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.423 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 15.9 m-85 -107.41 -42.29 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 42.0 p90 -147.02 165.92 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 t -105.06 118.43 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.52 -176.8 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.17 167.69 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.44 137.64 36.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 61.97 39.2 13.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -147.37 39.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.68 109.31 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.2 tp -127.49 105.75 8.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -80.01 141.43 35.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.79 166.99 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -69.7 122.28 18.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.02 -33.45 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 m -104.09 31.71 4.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 34.1 m -114.71 128.07 56.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.73 137.68 19.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.35 132.8 52.77 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.435 2.09 . . . . 0.0 112.264 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.33 104.15 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.01 26.54 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -27.91 68.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -115.17 26.8 9.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.29 129.49 34.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.8 m -103.52 100.9 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 tp -161.53 -67.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -155.17 147.3 17.4 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 137.69 67.93 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.536 2.158 . . . . 0.0 112.309 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.91 165.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.38 -132.78 0.06 OUTLIER Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.396 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.01 -26.08 13.76 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.487 2.125 . . . . 0.0 112.437 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t 61.53 113.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.5 t -79.85 -46.43 16.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.463 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -130.94 85.23 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 126.88 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.03 -45.18 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -99.02 31.66 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -95.39 128.6 42.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.97 -157.39 1.81 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt 66.27 31.75 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.324 . . . . 0.0 110.798 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.13 75.06 0.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.1 mtm -145.63 79.74 11.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.0 Cg_exo -57.52 -46.43 27.45 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.596 2.197 . . . . 0.0 112.534 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 93.8 Cg_endo -81.35 -28.0 2.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.448 2.099 . . . . 0.0 112.399 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.93 28.63 4.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -118.48 -177.39 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -60.16 -43.95 95.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -129.82 -74.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.25 74.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt -102.55 102.31 12.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -136.28 175.2 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.87 138.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.41 -28.72 12.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -90.96 152.59 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mt -85.49 150.15 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.66 155.66 35.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -120.07 151.48 38.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -112.61 159.47 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -93.59 46.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.27 166.78 14.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.501 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 5.2 m-80 -63.7 -50.23 72.71 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 87.4 Cg_endo -81.82 111.71 2.28 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.496 2.131 . . . . 0.0 112.248 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.37 115.76 2.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.399 2.066 . . . . 0.0 112.303 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -142.03 157.95 44.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 40.6 m-85 -129.35 122.92 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.52 159.77 27.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.439 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 p -99.4 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.437 HD12 HG23 ' A' ' 36' ' ' ILE . 43.2 mt -64.94 136.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 20.6 mmm180 -119.4 -62.14 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.469 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.7 t90 -127.67 133.88 49.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.5 mt -126.24 105.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.581 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.469 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -168.95 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.795 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -126.83 114.47 22.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.542 0.21 . . . . 0.0 110.715 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.64 159.66 16.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.472 2.114 . . . . 0.0 112.274 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.84 88.01 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.91 -51.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.535 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.19 111.96 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.655 0.265 . . . . 0.0 110.821 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.03 107.83 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -166.86 120.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.803 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.51 100.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.715 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -106.8 113.97 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.732 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.62 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.28 103.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.11 130.59 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.38 109.88 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.62 141.19 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.38 -31.25 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.32 137.05 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -76.86 93.64 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.68 124.08 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.16 124.57 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.44 -29.55 2.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.0 m -91.19 176.33 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.355 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 p -106.19 -170.26 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -105.56 32.29 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.76 33.62 3.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -128.86 128.13 43.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -111.69 111.68 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 60.35 35.63 20.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.86 28.98 55.76 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.7 m -132.35 104.96 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -64.72 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 8.0 m-85 -112.27 -42.83 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 35.2 p90 -140.45 -178.95 5.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 109.62 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.85 172.43 12.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.7 -177.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.97 137.95 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp 62.74 39.68 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -144.36 38.4 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.07 99.98 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -112.51 108.12 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -84.28 137.75 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.1 m -156.59 167.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -65.06 123.14 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.09 -30.49 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -63.91 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 m -97.59 32.55 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.94 152.59 33.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -132.64 145.09 55.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 128.23 28.87 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.53 2.154 . . . . 0.0 112.271 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.95 108.06 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -99.01 31.28 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.86 -35.28 80.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -114.52 28.14 8.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.05 122.71 44.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 m -96.84 112.99 24.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 mt -120.64 -42.97 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 179.95 -61.26 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.86 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 97' ' ' GLN . 60.5 Cg_endo -72.75 146.8 43.65 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.477 2.118 . . . . 0.0 112.341 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.4 p -152.57 153.94 34.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.9 76.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.54 151.73 17.92 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.519 2.146 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.1 m -119.97 155.45 32.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 m -149.26 34.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.483 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -82.54 -34.34 27.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -164.54 86.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.53 166.18 37.76 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.15 152.08 49.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.313 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -151.48 -48.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.25 -127.08 3.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt 65.56 31.12 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.75 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.29 106.84 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.0 ttm -110.09 136.06 20.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.789 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 46.9 Cg_exo -53.01 -45.39 41.42 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.284 1.989 . . . . 0.0 112.497 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 22.2 Cg_exo -64.67 -21.47 65.18 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.359 2.039 . . . . 0.0 111.91 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.35 169.8 12.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m120 60.93 -178.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.752 0.311 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.54 -64.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.53 -50.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.51 71.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt -93.05 98.43 11.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.55 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.89 130.8 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.09 -29.04 13.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -87.82 150.85 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.07 165.53 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -126.12 160.95 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.53 152.06 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -86.93 119.0 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -170.02 -174.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.35 -58.02 4.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.51 109.77 2.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.504 2.136 . . . . 0.0 112.31 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.59 95.26 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.45 2.1 . . . . 0.0 112.241 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -116.41 173.01 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -136.66 127.32 27.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.25 152.49 21.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -99.8 145.91 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.094 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 36' ' ' ILE . 42.9 mt -65.45 135.57 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -120.47 -63.02 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.003 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.46 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 60.1 t90 -123.83 134.24 53.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.7 mt -125.43 105.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.27 -170.25 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.761 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -128.92 115.45 19.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.512 0.196 . . . . 0.0 110.743 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.33 159.74 15.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.517 2.145 . . . . 0.0 112.271 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.28 87.01 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.621 2.214 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.16 -50.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.628 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.32 112.73 18.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -73.24 107.88 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.421 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -166.75 121.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.811 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.64 100.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.8 mt -106.99 114.03 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.93 114.93 27.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.91 121.75 20.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.414 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.2 mt -112.62 126.79 55.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -95.9 111.18 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.26 128.01 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.96 -31.66 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.83 142.27 27.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.73 99.59 10.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.15 126.0 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.72 127.0 31.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.86 28.39 5.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.7 m -122.09 -173.91 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.752 0.31 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.9 p -111.14 -177.99 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -122.17 31.75 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.94 34.88 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.405 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.4 p -138.22 134.44 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -113.47 107.2 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 58.48 42.7 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.21 28.74 59.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -130.07 94.05 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -64.88 124.95 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.423 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 18.6 m-85 -113.27 -37.38 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.11 168.97 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 m -109.2 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.9 m -131.1 -176.83 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.14 164.44 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.3 137.47 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt 60.88 38.42 17.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -148.11 40.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.43 111.1 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.6 tp -125.53 122.25 36.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -93.11 145.06 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.6 m -156.64 166.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -68.0 122.81 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.3 tp -58.4 -35.49 72.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -63.93 -26.0 68.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -101.14 33.83 2.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.7 m -113.96 151.12 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -124.82 130.25 24.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.97 128.05 28.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.119 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -103.06 102.58 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.09 27.1 4.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -65.01 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -109.65 27.04 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.97 126.23 37.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 p -73.96 124.32 25.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mt -159.38 88.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 59.96 98.54 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.92 -168.26 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.468 2.112 . . . . 0.0 112.374 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.83 165.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -112.26 -164.88 17.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.32 136.15 54.82 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.631 2.221 . . . . 0.0 112.287 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -142.49 31.66 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -176.61 102.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.505 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 62.29 117.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.14 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.96 179.44 30.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -76.08 -44.72 37.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t 60.3 168.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.95 158.99 19.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 mt -102.18 -31.2 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.48 120.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mtt -124.05 80.03 58.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.792 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.1 Cg_exo -58.48 -47.24 20.03 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.531 2.154 . . . . 0.0 112.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 50.4 Cg_exo -54.98 -22.6 31.3 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.273 1.982 . . . . 0.0 112.07 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.76 116.52 4.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 63.72 -79.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -171.27 -50.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -139.76 -50.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.22 68.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.561 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -86.64 97.0 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 175.17 9.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.06 133.36 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.32 13.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.0 m -82.99 154.87 24.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' CD1' ' CD1' ' A' ' 93' ' ' PHE . 4.2 mt -90.69 151.0 21.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.68 159.85 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -116.63 165.33 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.29 136.74 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.94 87.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.95 162.62 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.508 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 9.4 m-80 -59.18 -52.75 72.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 73.4 Cg_endo -74.92 111.41 3.32 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.278 1.986 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 91.41 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.589 2.192 . . . . 0.0 112.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 11.3 p90 -119.8 140.72 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -114.27 144.01 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.93 175.99 34.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -119.68 145.95 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.796 0.332 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.8 mt -66.27 135.43 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 1.5 mmp_? -117.94 -66.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.471 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.6 t90 -121.21 131.11 54.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.073 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.1 mt -122.36 105.97 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.41 -167.72 26.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.702 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -129.16 115.52 18.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.543 0.211 . . . . 0.0 110.725 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.42 159.53 15.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.389 2.06 . . . . 0.0 112.287 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.05 87.38 0.87 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.519 2.146 . . . . 0.0 112.287 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.25 113.55 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.33 107.78 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -166.77 121.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.9 100.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 66' ' ' PHE . 9.1 mt -108.98 117.09 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.3 114.97 27.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 112.31 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.7 mt -103.66 146.65 28.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.07 107.91 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 11.6 mt -66.14 137.06 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.95 -32.05 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -92.72 129.27 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.41 103.69 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.44 133.68 51.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.83 135.04 50.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.7 28.63 6.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.549 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.3 160.72 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -96.98 -178.02 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.17 34.16 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -141.62 133.21 26.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 49' ' ' LEU . 23.1 t80 -119.86 111.7 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 60.39 36.3 20.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.23 63.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -132.05 94.15 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -63.57 126.86 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 22.6 m-85 -112.14 -40.39 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.406 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 27.9 p90 -139.14 169.2 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.4 t -106.35 113.95 27.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.52 -176.86 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.12 -178.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.85 135.58 35.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 61.03 38.21 17.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -147.14 41.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.75 109.52 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.2 tp -123.99 121.67 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 79.1 m-85 -95.01 137.59 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -146.6 165.36 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -71.0 123.76 22.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.44 -38.02 76.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -24.98 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -103.67 31.49 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.16 154.94 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 130.55 24.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 134.35 59.48 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.412 2.075 . . . . 0.0 112.265 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -101.89 116.39 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.92 28.97 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -29.26 70.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 6.7 m-85 -108.34 28.15 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.169 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.66 125.88 42.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.859 0.361 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.5 m -81.2 125.19 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.8 mp 60.03 85.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -75.83 146.06 78.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.08 131.88 45.06 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.564 2.176 . . . . 0.0 112.28 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.5 p -176.73 38.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 110.9 -149.61 17.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.535 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.97 89.45 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.591 2.194 . . . . 0.0 112.308 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 m -80.31 -57.35 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 p -101.23 171.45 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.451 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -95.36 109.98 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.0 119.75 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.11 66.18 0.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.96 98.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 m -152.2 155.99 38.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.3 -159.54 22.2 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -101.44 -79.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.347 . . . . 0.0 110.994 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.16 55.72 1.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -143.75 80.66 12.57 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 53.1 Cg_exo -53.98 -45.75 38.74 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.56 2.173 . . . . 0.0 112.593 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 90.1 Cg_endo -81.76 -27.44 2.59 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.344 2.029 . . . . 0.0 112.409 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.81 -29.08 7.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.436 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -101.4 -58.14 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -170.36 -51.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -161.62 -45.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.05 37.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.6 mt -76.95 101.9 6.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -144.74 179.18 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.47 132.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.52 -34.22 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -92.59 139.78 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.05 143.97 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.71 147.86 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -112.14 147.57 35.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.06 158.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -100.83 75.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.32 -169.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.04 -58.55 1.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.781 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.408 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.4 Cg_endo -79.05 111.59 2.95 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 96.84 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.413 2.076 . . . . 0.0 112.231 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 4.4 p90 -119.64 151.26 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.45 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 10.8 m-85 -116.97 156.75 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.79 -178.4 43.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.443 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -124.56 143.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -64.92 140.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -126.38 -63.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 52.9 t90 -122.26 132.89 54.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.65 105.91 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.573 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.79 -169.47 28.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.801 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -127.05 114.9 21.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.576 0.226 . . . . 0.0 110.759 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -57.54 159.8 15.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.471 2.114 . . . . 0.0 112.233 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.9 87.89 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.505 2.136 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.99 -51.1 0.43 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.29 112.62 18.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.716 0.293 . . . . 0.0 110.811 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -73.27 107.83 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.973 0.416 . . . . 0.0 110.437 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -166.77 121.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.3 t -63.18 100.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.843 0.354 . . . . 0.0 110.673 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.43 114.45 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.99 114.9 27.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 116.78 8.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.72 135.21 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.86 108.58 19.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.99 132.56 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.09 -32.95 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.39 136.6 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -73.99 109.57 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.3 m -104.69 132.28 51.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.08 123.94 22.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.41 28.66 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 82.0 m -127.25 175.43 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 p -107.82 173.12 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -101.73 31.44 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.54 42.88 1.2 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 p -139.88 121.39 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 81' ' ' PHE . 28.5 t80 -104.06 119.95 40.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? 60.08 31.78 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.64 27.3 51.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 m -134.04 112.16 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -75.07 127.96 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 16.6 m-85 -111.73 -36.42 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -139.51 176.45 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 p -112.24 114.1 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.46 176.4 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.96 179.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.34 141.36 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp 61.52 37.31 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -147.06 38.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.27 104.23 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 112.73 16.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 58.5 m-85 -83.93 151.57 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.8 m -155.88 166.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -68.32 118.52 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.96 -33.56 70.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -64.06 -26.39 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 m -103.12 31.01 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 m -114.48 138.87 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 145.08 32.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.74 125.75 19.64 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.471 2.114 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -101.99 130.49 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.665 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 93' ' ' PHE . 1.1 t -88.29 -75.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.008 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.45 ' NH1' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 52.32 -84.8 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' SER . 41.3 m-85 -87.4 54.33 3.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.93 133.13 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -90.93 114.02 26.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.9 tt -108.18 125.74 51.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.19 134.78 20.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.55 -61.92 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.481 2.121 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 t 63.09 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 115.65 -98.64 0.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.57 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.56 130.78 16.46 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.564 2.176 . . . . 0.0 112.354 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -176.57 -58.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.8 t -109.16 -69.47 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.465 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 87' ' ' CYS . 7.6 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -141.56 174.63 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.7 t -62.51 133.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.4 -29.56 11.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.52 150.0 24.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HB ' ' A' ' 35' ' ' VAL . 11.1 mt -82.75 143.82 30.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.59 169.44 17.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -132.65 145.47 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.3 t -109.75 139.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 94.06 9.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -141.99 -177.93 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.13 -59.58 13.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.16 109.57 2.85 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.28 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.99 104.56 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.325 2.017 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -128.73 169.34 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 92' ' ' ARG . 18.4 m-85 -132.29 138.25 47.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 160.22 30.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.576 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.4 p -102.14 148.33 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.627 HG21 HD11 ' A' ' 39' ' ' ILE . 35.2 mt -67.03 146.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.9 mmm180 -128.93 -64.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.457 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.4 t90 -122.82 134.74 54.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 36' ' ' ILE . 34.7 mt -126.76 105.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.54 -172.07 32.5 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.83 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -126.08 114.87 24.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.522 0.201 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.35 159.77 15.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.479 2.12 . . . . 0.0 112.341 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.14 87.6 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.524 2.149 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.36 -50.49 0.43 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.587 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.835 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.36 112.68 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.23 107.81 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.556 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.835 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.65 121.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 84' ' ' LEU . 18.8 t -64.6 101.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.841 0.353 . . . . 0.0 110.559 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.5 114.03 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.11 114.97 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.99 113.75 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -104.4 130.54 52.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 108.57 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.77 133.83 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.68 -34.38 75.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.21 136.55 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.13 101.07 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.75 135.39 47.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.07 119.3 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.1 -28.35 3.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 m -79.19 175.49 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -110.1 -177.78 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.539 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.2 p30 -98.88 31.23 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 79' ' ' ALA . . . 92.82 40.61 4.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.466 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 70' ' ' ARG . 18.0 p -130.87 119.04 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -111.35 120.56 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 59.85 31.03 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.71 27.43 67.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -133.97 94.38 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HB2' HG22 ' A' ' 65' ' ' THR . 0.8 OUTLIER -63.76 125.23 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 47.4 m-85 -100.12 -36.41 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 22.6 p90 -139.42 177.77 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.798 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 m -111.9 114.23 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.52 178.61 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -69.95 173.86 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.9 mt -84.93 138.48 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 60.97 40.01 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 11.2 mtpt -149.17 37.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HB3' ' H ' ' A' ' 64' ' ' GLY . . . -144.48 105.1 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.58 119.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -85.76 139.16 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.537 HG21 ' CG2' ' A' ' 26' ' ' VAL . 17.8 m -147.73 165.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -69.26 120.25 14.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 48' ' ' VAL . 11.2 tp -58.46 -34.73 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -64.09 -26.12 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 m -102.94 31.27 4.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.508 ' HB2' HD13 ' A' ' 18' ' ' LEU . 27.5 m -108.5 159.66 16.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -132.2 135.29 26.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.3 130.63 40.76 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.423 2.082 . . . . 0.0 112.253 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -103.06 107.19 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 30.67 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 24.3 mtp85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 36' ' ' ILE . 5.3 pt-20 -138.3 179.57 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 37' ' ' ARG . 29.5 t -61.22 135.97 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.43 6.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.63 149.44 25.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.486 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.6 mt -84.65 137.29 33.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.51 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.52 143.64 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 27' ' ' LYS . 20.6 t -98.32 158.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG12 ' A' ' 26' ' ' VAL . 26.1 mmtt -94.98 48.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.54 175.38 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.419 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 2.1 m-80 -59.82 -58.0 22.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 74.0 Cg_endo -75.6 109.77 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.586 2.191 . . . . 0.0 112.367 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 46.1 Cg_endo -68.28 83.28 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.423 2.082 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -101.04 173.05 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -133.87 128.12 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.65 175.52 26.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.6 p -120.12 142.34 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 39' ' ' ILE . 35.8 mt -63.77 136.75 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 20' ' ' VAL . 24.1 mmm180 -120.82 -63.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.45 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.5 t90 -124.37 133.02 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 36' ' ' ILE . 39.0 mt -124.6 105.98 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.604 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.24 30.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.837 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -128.09 115.07 20.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.521 0.201 . . . . 0.0 110.767 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.43 159.53 16.05 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.507 2.138 . . . . 0.0 112.266 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.1 87.3 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.558 2.172 . . . . 0.0 112.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.05 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.821 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.24 112.67 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.674 0.273 . . . . 0.0 110.848 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -73.13 107.86 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.821 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.86 121.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.795 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.68 99.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.82 0.343 . . . . 0.0 110.591 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.4 mt -106.84 114.59 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.02 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.54 106.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -94.47 128.76 41.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.01 111.6 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.65 138.5 50.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.28 -31.67 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.79 127.32 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.01 101.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.47 121.1 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 123.39 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.34 2.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -90.77 174.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -103.0 -170.27 1.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.548 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.6 p30 -104.9 31.33 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.32 46.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.9 p -135.9 122.51 20.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' A' ' 49' ' ' LEU . 9.4 t80 -109.69 117.43 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 60.3 35.97 20.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.88 65.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -133.52 107.28 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -71.82 122.35 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 20.4 m-85 -103.2 -41.15 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 48.4 p90 -135.53 172.33 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -108.78 114.21 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.59 -176.79 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -76.26 165.15 25.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.8 mt -77.3 141.95 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 62.6 39.6 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 10.2 mtpt -150.58 40.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.46 109.4 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 tp -124.33 108.25 12.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -81.41 133.67 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.416 HG21 HG21 ' A' ' 26' ' ' VAL . 17.1 m -148.9 167.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -66.01 123.04 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 50' ' ' ALA . 18.4 tp -58.89 -35.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -64.08 -25.62 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 m -97.52 34.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.0 m -115.99 160.16 20.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.2 144.25 50.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.47 122.42 11.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.487 2.124 . . . . 0.0 112.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.06 101.97 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.66 30.92 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.77 0.319 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -137.07 -179.03 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 37' ' ' ARG . 38.4 t -58.48 131.55 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.12 -30.74 8.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -81.19 137.53 35.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.656 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.9 mt -72.38 151.02 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.31 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.29 157.13 45.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 82' ' ' VAL . 21.6 t -120.29 148.14 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -90.82 83.93 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -131.36 -178.15 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.75 -58.83 13.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.91 109.61 2.88 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.64 2.226 . . . . 0.0 112.242 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.86 90.55 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.381 2.054 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.7 p90 -112.45 172.99 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -135.0 137.17 42.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.75 172.94 34.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.656 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -115.98 146.75 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.6 HG23 ' HB1' ' A' ' 50' ' ' ALA . 36.2 mt -63.43 147.8 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.589 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mmp_? -130.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 46.0 t90 -121.66 130.08 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.586 HD11 HG21 ' A' ' 36' ' ' ILE . 22.0 mt -120.91 105.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.646 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.25 -172.33 32.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.713 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.84 115.49 24.47 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.523 0.201 . . . . 0.0 110.702 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -57.45 159.59 15.94 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.482 2.122 . . . . 0.0 112.293 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.82 87.44 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.588 2.192 . . . . 0.0 112.309 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.3 -50.63 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.575 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.856 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.35 113.37 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.58 108.01 6.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.886 0.374 . . . . 0.0 110.477 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.856 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.63 121.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.547 HG11 HD23 ' A' ' 84' ' ' LEU . 25.0 t -63.77 100.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 66' ' ' PHE . 27.2 mt -106.52 114.8 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.93 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.39 104.78 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.596 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.49 146.16 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.4 104.86 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 32' ' ' PHE . 57.7 mt -66.13 140.62 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.9 -31.62 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.41 125.26 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.57 99.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 t -96.13 124.96 40.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.18 112.33 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.35 2.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.2 m -76.26 178.23 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -109.43 -178.3 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -106.6 35.58 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.13 44.55 2.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -135.17 129.4 33.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.518 ' CE2' HD13 ' A' ' 49' ' ' LEU . 14.0 t80 -122.63 122.29 38.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 60.39 31.26 20.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.51 63.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -133.5 112.77 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -65.77 123.73 20.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 7.4 m-85 -107.86 -44.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -143.37 162.31 36.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -99.73 116.57 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.75 179.47 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -69.09 156.71 38.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.43 139.4 51.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp 61.24 39.25 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.621 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.0 mtpt -149.1 40.52 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.74 109.27 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -123.89 106.3 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 69.9 m-85 -77.28 142.22 39.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 26' ' ' VAL . 16.4 m -155.98 166.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.2 mttt -68.71 123.55 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.547 HD23 HG11 ' A' ' 48' ' ' VAL . 27.6 tp -59.74 -33.05 71.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.91 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -99.87 31.63 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 83.4 m -115.97 135.53 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.08 145.06 33.29 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.43 136.38 56.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.295 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -99.54 119.93 38.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.7 30.66 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 87' ' ' CYS . 15.5 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.842 0.353 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 pt-20 -135.76 -178.42 5.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.3 t -62.74 133.31 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.98 -39.93 2.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.556 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -78.84 147.99 32.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 10.4 mt -83.69 144.83 29.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 87' ' ' CYS . . . -144.45 137.54 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.07 130.14 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.771 HG21 HG21 ' A' ' 82' ' ' VAL . 21.2 t -95.67 143.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -85.32 57.6 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.2 -177.48 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.87 -59.2 13.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.1 109.57 2.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.626 2.217 . . . . 0.0 112.277 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.28 91.31 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.273 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -117.17 172.53 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 92' ' ' ARG . 11.7 m-85 -132.1 119.42 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -136.47 169.31 23.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -112.57 143.86 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.739 HG21 HD11 ' A' ' 39' ' ' ILE . 41.3 mt -65.95 132.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.552 ' O ' HG13 ' A' ' 20' ' ' VAL . 18.7 mmm180 -116.27 -62.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.495 ' CE2' ' CE1' ' A' ' 71' ' ' TYR . 54.0 t90 -124.96 133.14 53.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.739 HD11 HG21 ' A' ' 36' ' ' ILE . 20.6 mt -123.88 106.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.716 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.23 -168.01 27.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.785 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -127.52 114.99 21.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.593 0.235 . . . . 0.0 110.681 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.5 159.57 16.17 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.402 2.068 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.73 87.5 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.6 2.2 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.07 0.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.579 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.861 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.25 112.32 18.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.656 0.265 . . . . 0.0 110.767 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.29 107.92 5.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.861 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.75 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.748 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.481 HG11 HD23 ' A' ' 84' ' ' LEU . 20.2 t -64.46 97.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.73 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 66' ' ' PHE . 11.5 mt -106.67 115.84 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.681 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.01 114.98 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.85 107.79 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.47 132.92 40.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -101.51 105.33 16.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.98 134.35 52.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.31 -30.79 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.7 150.16 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.64 107.98 18.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 m -108.17 141.46 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 113.26 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.45 -28.31 3.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.18 162.13 29.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.93 -176.85 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.623 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.4 p30 -103.1 34.28 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 41.67 3.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.545 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 p -143.97 120.11 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 49' ' ' LEU . 7.3 t80 -92.19 98.85 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 59.73 29.23 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.39 -24.81 27.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 m -77.44 94.52 4.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -69.75 128.43 36.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CE1' ' CE2' ' A' ' 38' ' ' TRP . 60.9 m-85 -115.54 -42.18 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 11.9 p90 -138.99 -179.38 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.93 105.2 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 m -127.73 172.72 10.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.77 177.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 63' ' ' ASP . 9.3 mt -86.93 137.99 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 61.28 40.04 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.4 mtpt -147.14 36.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.62 99.28 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tp -113.01 124.79 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m-85 -97.04 132.69 42.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.771 HG21 HG21 ' A' ' 26' ' ' VAL . 28.6 m -146.78 166.99 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.3 mttt -66.37 124.59 23.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.481 HD23 HG11 ' A' ' 48' ' ' VAL . 45.3 tp -59.85 -30.62 69.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.961 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -97.23 31.19 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.453 ' HB2' HD13 ' A' ' 18' ' ' LEU . 91.7 m -116.09 152.42 33.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.46 145.05 55.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.28 116.87 3.24 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 1.9 t70 -102.99 110.83 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.21 27.41 9.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.962 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.415 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.816 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 24' ' ' ALA . 21.8 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -145.39 178.65 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 37' ' ' ARG . 25.1 t -57.4 135.51 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.06 -39.93 2.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.5 m -75.13 152.12 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 ' HB ' ' A' ' 35' ' ' VAL . 8.6 mt -84.62 150.95 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.461 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . . . -151.57 164.59 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -132.26 143.45 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 82' ' ' VAL . 21.5 t -107.69 148.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.68 79.95 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.42 -177.91 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.67 -59.16 13.45 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 72.1 Cg_endo -77.0 109.64 2.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.297 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.7 Cg_endo -69.62 87.14 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.442 2.095 . . . . 0.0 112.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -107.87 169.82 8.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.39 124.75 32.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.44 171.79 25.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.765 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.6 p -118.31 146.21 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.762 HG21 HD11 ' A' ' 39' ' ' ILE . 43.4 mt -66.29 135.05 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.646 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -118.77 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.972 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.455 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.2 t90 -123.28 132.63 54.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 36' ' ' ILE . 22.0 mt -125.0 105.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.578 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -169.87 28.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.794 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -127.29 114.83 21.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.53 0.205 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.47 159.63 15.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.472 2.115 . . . . 0.0 112.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.88 87.63 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.21 -50.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.18 112.3 18.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.35 107.91 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.979 0.419 . . . . 0.0 110.536 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.84 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.74 120.95 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.486 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -63.61 100.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 110.715 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.609 HD13 ' CE2' ' A' ' 66' ' ' PHE . 22.6 mt -106.61 114.05 27.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.755 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.0 114.96 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.038 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.45 6.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.6 138.23 41.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -105.08 108.04 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.08 137.63 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.02 -31.63 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -90.93 124.51 35.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -62.99 100.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.94 123.9 37.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 110.02 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.57 -29.1 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.552 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.0 m -71.55 175.76 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 3.4 p -103.74 176.99 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.621 ' HB3' HD23 ' A' ' 76' ' ' LEU . 4.6 p-10 -106.73 31.59 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.06 41.19 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.591 HG22 ' HB2' ' A' ' 70' ' ' ARG . 40.9 p -143.72 126.67 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.609 ' CE2' HD13 ' A' ' 49' ' ' LEU . 21.8 t80 -109.72 110.36 21.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 60.36 37.64 20.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.27 28.22 58.44 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.547 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 m -133.91 95.69 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.591 ' HB2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -66.68 127.36 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 27.2 m-85 -109.83 -30.78 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -147.0 -178.09 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -117.12 115.27 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.0 m -139.14 178.42 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -64.87 -178.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.621 HD23 ' HB3' ' A' ' 63' ' ' ASP . 33.3 mt -92.37 138.27 31.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm 61.63 39.84 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 42.0 mtpt -148.6 36.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -138.27 100.56 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.8 tp -120.71 122.64 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -90.23 149.19 22.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 26' ' ' VAL . 25.0 m -156.54 166.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.455 ' HA ' HD23 ' A' ' 49' ' ' LEU . 19.6 mttt -68.47 122.27 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD2' HG11 ' A' ' 48' ' ' VAL . 16.5 tp -60.04 -33.05 71.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.89 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -99.71 31.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.6 m -115.96 160.51 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.45 141.11 32.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 135.35 66.64 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.487 2.124 . . . . 0.0 112.241 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -99.52 119.51 38.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.66 33.51 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.36 179.24 7.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 37' ' ' ARG . 24.6 t -59.31 124.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 -35.86 4.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.593 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -76.33 142.24 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.488 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.4 mt -73.74 150.95 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 159.61 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -123.51 145.95 48.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.73 145.7 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 78.35 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.53 -170.25 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.24 -58.61 1.9 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.87 111.52 2.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.34 106.98 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.499 2.133 . . . . 0.0 112.235 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.491 ' HB2' HD22 ' A' ' 54' ' ' LEU . 10.7 p90 -135.15 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.04 144.62 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.65 158.95 29.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.3 p -106.83 141.09 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.747 HG21 HD11 ' A' ' 39' ' ' ILE . 36.2 mt -61.59 134.85 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.672 ' O ' HG13 ' A' ' 20' ' ' VAL . 31.5 mmm180 -118.6 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CE2' ' CD1' ' A' ' 71' ' ' TYR . 49.0 t90 -125.08 131.67 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.747 HD11 HG21 ' A' ' 36' ' ' ILE . 22.9 mt -122.67 105.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.4 -169.38 28.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.79 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.3 115.27 21.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.495 0.188 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.4 159.64 15.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.447 2.098 . . . . 0.0 112.289 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.82 87.5 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.549 2.166 . . . . 0.0 112.369 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.17 -50.66 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.85 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.27 112.34 18.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.763 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.31 107.92 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.394 . . . . 0.0 110.539 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.85 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.7 121.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.4 t -63.63 100.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.676 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.5 mt -107.49 115.61 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.88 114.92 27.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.44 103.54 1.27 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.03 142.85 27.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -111.99 108.94 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 32' ' ' PHE . 14.8 mt -66.05 134.95 53.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -65.26 -33.32 75.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.91 151.49 20.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -87.87 104.72 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.3 t -105.96 121.32 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 135.56 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.17 -28.52 7.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.1 m -82.77 -179.9 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -110.23 -175.45 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -103.99 33.22 3.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.84 40.18 3.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.61 118.97 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 49' ' ' LEU . 6.5 t80 -98.03 101.36 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 59.23 29.12 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 -20.47 49.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.704 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -86.79 96.91 10.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -72.9 123.9 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 38' ' ' TRP . 67.5 m-85 -102.65 -42.75 5.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 30.3 p90 -135.81 168.27 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -106.98 109.04 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.81 173.08 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -62.09 171.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.65 135.68 36.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp 61.48 47.17 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 9.3 mtpt -153.76 38.1 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.02 106.67 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -123.51 108.78 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.1 m-85 -80.1 139.54 36.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.8 m -151.28 166.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -65.95 121.93 16.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.48 ' CD2' HG11 ' A' ' 48' ' ' VAL . 15.9 tp -59.17 -33.32 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.73 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 m -98.31 29.73 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.1 m -116.0 150.61 36.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.1 145.03 55.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 128.11 28.29 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.514 2.142 . . . . 0.0 112.248 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -100.24 102.33 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.79 25.87 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.854 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.857 0.361 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -145.27 178.06 8.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 37' ' ' ARG . 36.5 t -58.41 138.05 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.47 2.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -75.52 141.77 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.647 HD23 ' HB ' ' A' ' 35' ' ' VAL . 8.8 mt -70.88 148.21 48.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -150.45 153.22 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.3 tt0 -120.14 153.67 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.763 HG21 HG21 ' A' ' 82' ' ' VAL . 28.5 t -124.35 135.69 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -75.91 81.54 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -125.69 177.35 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.07 -58.73 17.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.27 109.73 2.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.94 85.38 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.371 2.047 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 14.7 p90 -106.88 172.8 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 10.9 m-85 -140.05 115.67 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.55 -174.14 13.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.647 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.4 p -125.73 145.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 111.062 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' HB1' ' A' ' 50' ' ' ALA . 41.3 mt -60.43 153.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mmp_? -135.44 -67.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.49 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 45.8 t90 -120.64 130.95 54.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 36' ' ' ILE . 13.4 mt -122.03 105.99 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.514 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.19 -168.56 27.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.818 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -129.57 115.37 18.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.552 0.215 . . . . 0.0 110.761 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.58 159.52 16.56 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.344 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.03 87.72 0.85 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.593 2.195 . . . . 0.0 112.23 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.4 -50.06 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.556 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.862 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.28 112.16 18.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.12 107.72 5.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 110.58 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.862 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.98 124.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.421 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -67.41 101.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.669 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 mt -108.15 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.31 102.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.574 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 24' ' ' ALA . 56.7 mt -88.33 144.25 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.7 111.76 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 13.2 mt -68.56 152.44 45.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.21 -31.71 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -98.15 126.76 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -68.88 96.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.69 128.45 53.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.65 121.01 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 138.42 -28.18 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.569 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m -87.08 167.82 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 -176.93 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.47 31.38 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.32 37.83 3.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.479 HG22 ' CA ' ' A' ' 70' ' ' ARG . 3.1 p -136.56 119.0 15.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -99.81 106.79 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 60.7 40.43 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 28.36 60.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 m -132.74 93.91 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CA ' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -61.22 134.45 57.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.49 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -117.45 -39.17 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -141.58 -178.38 5.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 t -116.71 112.92 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 m -144.05 175.43 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -64.31 154.56 34.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.06 147.55 44.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt 61.92 33.28 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 13.3 mtpt -147.61 38.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.06 100.33 3.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.424 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tp -115.06 108.75 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 82' ' ' VAL . 95.3 m-85 -77.66 144.1 37.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.763 HG21 HG21 ' A' ' 26' ' ' VAL . 16.7 m -157.37 166.13 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -70.2 123.95 22.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 48' ' ' VAL . 17.7 tp -58.96 -36.16 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -25.66 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.5 m -100.55 31.19 3.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 99.6 m -112.28 150.32 31.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -123.37 141.85 37.21 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.65 126.93 24.03 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.525 2.15 . . . . 0.0 112.23 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.93 98.34 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.3 29.72 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -142.69 174.04 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.4 t -59.48 132.1 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.24 -35.09 5.25 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.0 m -80.22 151.69 29.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.328 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 35' ' ' VAL . 5.9 mt -79.88 150.98 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -150.45 156.39 41.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -131.06 144.07 51.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 27' ' ' LYS . 20.3 t -104.0 158.85 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -98.05 37.04 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.36 177.73 8.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.67 -58.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 73.0 Cg_endo -76.39 109.67 2.91 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.587 2.191 . . . . 0.0 112.317 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 48.4 Cg_endo -68.7 86.91 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.406 2.071 . . . . 0.0 112.282 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -106.56 171.83 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -132.67 135.4 45.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.17 -162.72 11.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -140.95 148.42 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.732 HG21 HD11 ' A' ' 39' ' ' ILE . 38.3 mt -64.98 137.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.587 ' O ' HG13 ' A' ' 20' ' ' VAL . 28.0 mmm180 -121.76 -60.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.465 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.5 t90 -128.33 133.52 48.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.732 HD11 HG21 ' A' ' 36' ' ' ILE . 21.6 mt -124.39 106.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.639 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.01 -168.39 28.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.724 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -127.3 114.86 21.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.503 0.192 . . . . 0.0 110.688 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.69 159.65 16.61 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.485 2.123 . . . . 0.0 112.251 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.76 87.87 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.519 2.146 . . . . 0.0 112.28 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -51.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.528 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.859 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.695 0.283 . . . . 0.0 110.751 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.27 107.92 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.859 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.81 120.94 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.775 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.578 HG11 HD23 ' A' ' 84' ' ' LEU . 21.4 t -63.71 98.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 83' ' ' LYS . 10.2 mt -106.98 115.21 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.96 114.94 27.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.76 111.43 3.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 24' ' ' ALA . 74.0 mt -97.99 130.7 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.34 108.55 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mt -66.09 148.42 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.11 -32.72 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -100.39 148.33 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.73 83.76 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.3 m -77.24 126.52 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.77 114.15 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.66 -28.33 2.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.0 m -82.26 173.82 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 71.2 p -105.18 -177.21 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.601 ' HB3' HD23 ' A' ' 76' ' ' LEU . 4.6 p-10 -98.56 31.55 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.79 43.52 2.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 70' ' ' ARG . 40.2 p -137.7 119.04 14.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -102.18 107.83 19.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 59.72 39.9 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.31 28.34 64.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 m -130.73 94.03 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HB2' HG22 ' A' ' 65' ' ' THR . 1.2 ttt180 -70.06 120.22 15.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.428 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 49.9 m-85 -101.3 -34.92 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 21.0 p90 -140.69 -178.48 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 73' ' ' THR . 6.9 t -114.47 114.91 26.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -141.13 171.55 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -63.54 179.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 63' ' ' ASP . 4.5 mt -91.94 142.65 27.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp 61.55 35.99 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.641 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 32.9 mtpt -147.18 36.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -139.54 105.82 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -124.01 114.21 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -84.58 141.63 30.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 26' ' ' VAL . 16.9 m -153.62 166.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.6 mttp -64.61 131.21 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 HG11 ' A' ' 48' ' ' VAL . 33.8 tp -70.47 -31.71 68.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -27.51 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.0 m -104.23 31.76 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.28 135.33 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.18 126.8 30.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 127.47 25.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.298 1.999 . . . . 0.0 112.311 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.32 102.3 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.73 30.42 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -141.56 178.98 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ARG . 23.0 t -58.56 141.36 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.39 -38.32 3.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.9 m -82.57 158.17 23.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -90.84 150.26 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.39 158.07 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.6 tt0 -119.94 148.73 43.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.4 t -111.87 148.8 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -92.24 83.02 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.24 -168.77 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 2.1 m-80 -75.71 -58.6 1.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.5 Cg_endo -79.03 111.3 2.91 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.05 109.36 0.92 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.416 2.077 . . . . 0.0 112.23 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' A' ' 54' ' ' LEU . 2.9 p90 -132.52 164.85 25.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 30.8 m-85 -133.32 137.99 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.87 174.17 32.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 22' ' ' SER . 11.8 p -117.56 139.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.685 HG23 ' HB1' ' A' ' 50' ' ' ALA . 36.0 mt -60.51 136.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -121.67 -64.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.486 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 46.5 t90 -120.15 131.31 54.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.648 HD11 HG21 ' A' ' 36' ' ' ILE . 37.5 mt -122.08 106.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.574 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.35 -168.13 27.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.786 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.62 115.3 21.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.502 0.191 . . . . 0.0 110.783 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.43 159.87 15.23 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.497 2.132 . . . . 0.0 112.27 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.95 87.56 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -50.87 0.43 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.621 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 112.6 18.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.268 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -73.46 107.87 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.6 pt-20 -166.87 121.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.2 t -63.16 99.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.66 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 83' ' ' LYS . 12.4 mt -108.24 117.25 33.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.685 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.98 27.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 105.01 1.44 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.443 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.49 143.41 26.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -109.47 109.68 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 32' ' ' PHE . 13.6 mt -67.46 135.15 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.6 -35.23 78.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.23 134.23 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -60.14 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.3 t -86.38 123.95 32.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 117.16 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.45 42.32 1.5 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.5 m -136.63 169.91 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -104.19 -179.29 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.55 ' HB3' HD23 ' A' ' 76' ' ' LEU . 13.3 p-10 -107.87 31.4 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.63 28.7 5.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.43 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 p -128.42 119.04 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -107.62 115.29 29.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 60.22 36.42 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.39 65.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.555 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.2 m -133.86 94.43 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 134.06 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 26.4 m-85 -115.63 -38.4 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -139.14 -178.95 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.58 107.66 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.47 -177.88 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.633 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -71.61 161.56 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 63' ' ' ASP . 2.4 mt -76.83 144.7 38.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 60.44 35.93 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.633 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.2 mtpt -148.69 38.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.51 101.67 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.5 tp -117.21 113.54 22.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -84.13 139.12 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 26' ' ' VAL . 19.8 m -148.76 166.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.0 mttt -68.23 122.51 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' HG11 ' A' ' 48' ' ' VAL . 11.5 tp -58.82 -38.61 79.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -63.98 -24.64 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -101.32 33.88 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.25 145.66 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -117.46 141.94 29.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.27 126.79 23.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.473 2.115 . . . . 0.0 112.329 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -103.04 102.19 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.7 30.72 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 89' ' ' PRO . 35.2 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.856 0.36 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 37' ' ' ARG . 24.0 t -58.58 136.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.58 -38.53 3.09 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.04 148.88 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD23 ' HB ' ' A' ' 35' ' ' VAL . 7.1 mt -83.7 149.22 26.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.52 146.45 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -110.53 154.31 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 82' ' ' VAL . 21.5 t -115.31 152.82 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.23 106.85 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.29 -169.66 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.28 -58.52 1.9 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 109.54 2.81 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.67 117.78 5.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.359 2.039 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -138.41 161.98 35.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -128.42 134.97 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.67 -169.24 19.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.752 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.5 p -133.4 146.36 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.076 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.707 HG23 ' HB1' ' A' ' 50' ' ' ALA . 43.5 mt -66.38 141.22 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.538 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 mmp_? -121.97 -66.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.456 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.7 t90 -120.62 131.49 54.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 36' ' ' ILE . 4.7 mt -121.94 105.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.62 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.85 -168.79 28.55 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.78 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.67 115.45 20.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.45 159.45 16.29 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.393 2.062 . . . . 0.0 112.206 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.84 87.46 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.542 2.161 . . . . 0.0 112.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.58 -50.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.577 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.855 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.26 112.38 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 110.795 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.12 107.95 5.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.864 0.364 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.855 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.75 120.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.747 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.465 HG11 ' CD2' ' A' ' 84' ' ' LEU . 19.3 t -64.39 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.849 0.357 . . . . 0.0 110.651 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 83' ' ' LYS . 29.2 mt -108.15 117.24 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.786 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.01 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.46 103.75 1.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.29 151.95 21.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -117.54 104.82 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.19 135.99 52.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -70.02 -36.04 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.83 126.21 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.03 87.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.0 m -91.36 139.17 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.84 131.61 44.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.91 -28.4 7.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.16 164.25 26.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.45 -176.6 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -109.73 31.35 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.39 41.07 2.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 70' ' ' ARG . 74.8 p -141.72 136.73 31.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 10.3 t80 -108.63 108.4 19.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 58.35 29.42 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.32 -20.44 47.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.591 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 m -84.34 108.97 17.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HA ' HG22 ' A' ' 65' ' ' THR . 10.9 ttm180 -77.46 128.32 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 48.7 m-85 -111.48 -46.58 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 12.6 p90 -133.24 168.58 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -108.79 103.53 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.05 173.91 10.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.72 157.4 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.8 145.63 40.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 60.32 31.43 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.635 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 8.0 mtpt -143.6 40.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.51 109.3 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -121.16 112.87 19.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -83.4 138.27 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 26' ' ' VAL . 15.7 m -151.83 167.03 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.536 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.1 mttt -67.06 123.2 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.465 ' CD2' HG11 ' A' ' 48' ' ' VAL . 18.0 tp -59.23 -35.7 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -25.73 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.3 m -98.15 29.55 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 80.0 m -116.01 149.57 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.95 143.34 46.5 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' N ' HD21 ' A' ' 18' ' ' LEU . 51.7 Cg_exo -54.2 133.5 55.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.518 2.145 . . . . 0.0 112.276 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -102.97 113.54 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.75 30.25 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.37 177.94 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 37' ' ' ARG . 22.0 t -60.54 140.09 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.63 -28.4 14.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.417 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' VAL . 68.7 m -92.89 158.29 15.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.9 mt -89.54 150.99 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.28 159.1 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -122.72 145.2 48.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.007 HG21 HG21 ' A' ' 82' ' ' VAL . 25.4 t -112.62 127.78 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.63 125.05 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.55 174.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.67 -59.61 13.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 73.6 Cg_endo -76.1 109.78 2.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 55.9 Cg_endo -69.96 87.44 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.363 2.042 . . . . 0.0 112.341 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.484 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.4 p90 -104.38 160.09 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.15 127.64 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' HD22 ' A' ' 52' ' ' LEU . . . -149.06 156.82 27.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.528 ' HB ' HD23 ' A' ' 23' ' ' LEU . 10.7 p -99.59 142.44 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.64 HG23 ' HB1' ' A' ' 50' ' ' ALA . 37.8 mt -62.25 146.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 19.3 mmm180 -130.36 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.452 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 57.7 t90 -117.61 133.32 56.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 36' ' ' ILE . 31.4 mt -124.92 105.95 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.47 -169.49 29.15 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.837 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -128.15 115.07 20.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.526 0.203 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD3' HD12 ' A' ' 49' ' ' LEU . 43.6 Cg_exo -57.51 159.72 15.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.498 2.132 . . . . 0.0 112.317 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.08 87.8 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.553 2.169 . . . . 0.0 112.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.27 -50.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.842 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.25 112.0 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.669 0.271 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -73.55 107.6 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.842 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.2 pt-20 -167.0 120.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.694 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.4 t -62.09 105.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.612 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' HD3' ' A' ' 42' ' ' PRO . 7.6 mt -110.19 118.28 35.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -94.25 114.93 27.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.4 102.97 1.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 34' ' ' GLY . 79.3 mt -90.48 136.41 33.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -103.66 108.56 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 32' ' ' PHE . 8.7 mt -66.07 134.88 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.02 -31.44 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.93 127.17 48.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.13 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.48 123.81 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.17 116.94 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.23 -28.62 2.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.4 m -89.11 175.0 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -106.87 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.674 ' HB3' HD23 ' A' ' 76' ' ' LEU . 19.9 p-10 -98.33 34.03 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.73 38.75 3.34 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.01 118.99 21.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -110.21 108.62 18.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.26 35.88 20.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.2 28.84 63.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -127.82 94.02 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -62.0 122.63 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 15.7 m-85 -108.68 -40.35 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 24.1 p90 -147.15 174.19 11.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 73' ' ' THR . 9.5 t -108.68 118.0 35.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.88 -178.95 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.622 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -73.99 156.67 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 63' ' ' ASP . 6.9 mt -70.33 142.55 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp 60.96 37.08 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.622 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 6.3 mtpt -147.88 38.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -142.9 98.97 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 tp -112.43 103.29 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 82' ' ' VAL . 96.2 m-85 -73.17 142.77 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.007 HG21 HG21 ' A' ' 26' ' ' VAL . 14.8 m -158.03 167.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.012 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HA ' HD23 ' A' ' 49' ' ' LEU . 7.1 mtmt -74.12 126.21 30.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 111.159 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.35 -42.4 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -63.97 -22.71 67.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.1 m -98.25 29.43 3.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' ' 26' ' ' VAL . 21.0 m -115.96 169.99 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.99 143.23 30.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 128.33 29.75 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.453 2.102 . . . . 0.0 112.254 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.01 116.84 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 32.4 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 175.21 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 37' ' ' ARG . 22.5 t -58.72 122.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.21 -28.52 9.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.3 m -88.13 158.67 18.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.0 mt -87.48 151.04 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -146.84 167.54 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.4 tt0 -133.56 148.87 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 27' ' ' LYS . 21.3 t -115.69 156.22 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' N ' HG12 ' A' ' 26' ' ' VAL . 9.5 tttm -96.22 62.41 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -101.99 -172.93 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.07 -58.7 3.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.02 111.72 2.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.697 2.264 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 89.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.473 2.115 . . . . 0.0 112.203 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -109.68 168.84 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 29.5 m-85 -138.32 112.92 8.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.79 176.89 16.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -121.48 144.29 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.621 HG21 HD11 ' A' ' 39' ' ' ILE . 34.1 mt -62.41 136.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 20' ' ' VAL . 28.1 mmm180 -124.33 -59.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.497 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 60.4 t90 -128.21 134.09 48.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.621 HD11 HG21 ' A' ' 36' ' ' ILE . 22.5 mt -124.88 106.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.47 -171.78 33.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.735 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -128.1 115.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.534 0.206 . . . . 0.0 110.701 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.57 159.61 16.31 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.449 2.1 . . . . 0.0 112.36 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 87.3 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.547 2.165 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.08 -50.05 0.42 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.552 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.3 112.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 110.821 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.41 107.77 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.463 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.795 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.88 121.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.426 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.6 t -64.95 102.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 66' ' ' PHE . 16.4 mt -108.05 115.45 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.76 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.25 122.98 26.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD12 ' CG2' ' A' ' 82' ' ' VAL . 45.4 mt -114.77 130.01 56.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.78 105.83 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.52 139.56 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.45 -43.19 86.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.26 131.25 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -73.19 108.89 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.58 137.34 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.45 106.86 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.72 -28.63 2.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.5 m -66.61 169.11 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -102.66 -178.62 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -110.48 30.86 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.86 40.92 2.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 128.65 20.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE2' HD13 ' A' ' 49' ' ' LEU . 11.9 t80 -109.9 107.61 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 60.3 39.6 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.45 28.09 62.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 m -130.76 94.83 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.99 132.57 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 13.6 m-85 -118.48 -40.98 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 27.9 p90 -141.15 -178.46 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 m -115.32 112.72 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.78 -177.73 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -71.48 -176.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -93.37 140.24 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt 60.91 39.97 16.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.583 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.2 mtpt -148.72 41.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.29 107.42 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -126.61 110.88 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -85.01 137.74 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.608 ' CG2' HD12 ' A' ' 52' ' ' LEU . 14.1 m -145.78 167.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.423 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.8 mttt -68.54 121.41 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 50' ' ' ALA . 16.2 tp -59.65 -29.94 68.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -63.93 -28.01 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.5 m -105.64 31.53 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.49 139.78 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.64 145.16 31.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 106.66 2.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.489 2.126 . . . . 0.0 112.363 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -66.54 129.81 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -109.15 30.98 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.542 HD21 ' HD3' ' A' ' 89' ' ' PRO . 4.3 mt . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pt-20 -139.56 178.43 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.3 t -62.86 131.5 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.37 -31.61 8.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -85.81 151.81 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 35' ' ' VAL . 15.2 mt -80.3 150.51 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.451 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -153.28 156.23 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.4 tt0 -123.79 148.11 46.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 82' ' ' VAL . 24.8 t -112.94 157.9 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 tttt -97.16 39.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.14 -177.98 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.21 -58.53 12.1 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.47 109.64 2.9 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.606 2.204 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.35 94.87 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 8.2 p90 -122.25 172.97 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.1 m-85 -131.39 121.13 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.65 166.59 25.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.64 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -107.81 147.4 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.081 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.649 HG21 HD11 ' A' ' 39' ' ' ILE . 40.1 mt -64.59 139.37 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 20' ' ' VAL . 31.2 mmm180 -124.53 -60.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 59.6 t90 -127.33 133.77 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.649 HD11 HG21 ' A' ' 36' ' ' ILE . 19.7 mt -125.02 105.93 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.513 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.06 -169.12 29.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -129.08 115.5 18.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.578 0.227 . . . . 0.0 110.709 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.38 159.63 15.61 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.52 2.147 . . . . 0.0 112.328 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.13 87.49 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.89 -50.36 0.42 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.631 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.849 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.26 113.26 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 110.868 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -73.37 107.81 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.429 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.849 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.3 pt-20 -166.94 121.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -65.46 100.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 83' ' ' LYS . 6.9 mt -108.06 116.76 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.21 114.93 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.24 113.69 5.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.415 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' A' ' 82' ' ' VAL . 14.3 mt -101.63 131.59 47.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 6.8 mt -67.91 143.22 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.4 -31.62 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.54 133.89 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.57 97.56 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.14 129.41 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.01 131.38 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.81 28.39 4.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.2 m -137.75 151.93 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -88.69 -173.42 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -110.14 31.87 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.55 44.75 1.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.14 119.13 12.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 49' ' ' LEU . 28.6 t80 -109.64 118.53 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 60.38 32.2 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.08 28.44 60.4 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -131.59 104.52 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -64.3 129.56 40.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -113.11 -37.5 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -151.59 172.81 15.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 73' ' ' THR . 9.6 t -107.17 116.86 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.7 m -143.95 171.15 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -60.11 152.75 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.11 146.29 50.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt 60.22 33.82 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.487 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 3.5 mtpt -149.04 37.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.68 99.16 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.411 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 62.8 tp -119.04 123.16 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 89.8 m-85 -93.09 141.35 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 26' ' ' VAL . 16.1 m -149.07 166.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HA ' HD23 ' A' ' 49' ' ' LEU . 14.4 mttt -67.97 120.68 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 50' ' ' ALA . 16.2 tp -59.51 -29.1 67.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -28.07 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.8 m -102.17 31.63 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.6 m -113.92 158.04 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.5 145.17 39.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.542 ' HD3' HD21 ' A' ' 18' ' ' LEU . 32.9 Cg_endo -67.83 109.4 1.89 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.388 2.059 . . . . 0.0 112.224 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -65.73 131.53 46.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -100.26 30.1 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -128.72 178.36 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 37' ' ' ARG . 36.2 t -58.29 143.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.72 -45.66 2.53 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -70.76 153.07 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.7 mt -82.37 148.9 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.83 148.66 29.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.238 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -115.45 151.3 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.6 t -117.62 132.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.12 -178.93 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.77 -59.38 14.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.81 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.0 109.53 2.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.175 . . . . 0.0 112.236 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.08 104.33 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.452 2.101 . . . . 0.0 112.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 8.4 p90 -133.14 158.83 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -121.8 148.9 44.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.85 163.2 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.576 ' HB ' HD23 ' A' ' 23' ' ' LEU . 12.4 p -106.26 147.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.312 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.604 HG23 ' HB1' ' A' ' 50' ' ' ALA . 37.0 mt -66.34 144.1 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.511 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mmp_? -126.13 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.443 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.9 t90 -119.96 132.43 55.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 36' ' ' ILE . 21.0 mt -124.35 105.89 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.12 -167.08 25.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.857 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.66 114.96 20.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.473 0.178 . . . . 0.0 110.735 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.41 159.72 15.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.85 87.69 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.29 -51.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.57 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.27 113.51 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.722 0.296 . . . . 0.0 110.886 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.48 107.76 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.857 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.76 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG11 HD23 ' A' ' 84' ' ' LEU . 21.3 t -63.48 99.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 0.0 110.649 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 83' ' ' LYS . 16.7 mt -107.82 116.09 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.604 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.02 116.39 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' ILE . 53.8 mt -104.01 147.38 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -110.89 108.64 18.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.64 135.49 48.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -69.21 -38.28 78.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.12 118.33 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.28 98.1 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.3 123.49 47.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.01 139.03 57.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.02 -28.57 8.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.504 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 78.6 m -76.53 172.44 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -100.71 179.98 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.634 ' HB3' HD23 ' A' ' 76' ' ' LEU . 28.7 p30 -108.96 31.22 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.84 42.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 p -139.29 118.95 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.472 ' CE2' HD13 ' A' ' 49' ' ' LEU . 31.6 t80 -103.74 112.98 26.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 60.2 38.19 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.27 28.38 66.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -132.77 93.97 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -61.26 140.26 57.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 17.5 m-85 -124.9 -44.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -133.57 170.66 15.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.34 107.37 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.48 -176.83 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -70.04 170.08 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.1 mt -84.95 142.96 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm 62.43 38.14 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 1.7 mtpt -151.32 39.49 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.41 111.29 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.408 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 41.0 tp -130.1 122.67 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 63.0 m-85 -96.38 147.3 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 81' ' ' PHE . 8.5 m -155.81 165.11 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.074 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.5 mttt -68.72 122.81 19.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.533 HD23 HG11 ' A' ' 48' ' ' VAL . 27.3 tp -61.06 -36.63 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -25.52 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.58 33.9 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 54.2 m -114.55 142.54 46.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 145.17 30.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.737 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.51 110.43 2.87 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.438 2.092 . . . . 0.0 112.282 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.55 131.92 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.69 30.15 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.86 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.8 t -60.41 128.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.7 -30.24 10.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.2 m -87.36 145.44 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 35' ' ' VAL . 6.8 mt -74.92 143.69 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -147.44 144.73 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.9 tt0 -118.41 144.11 46.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.84 HG21 HG21 ' A' ' 82' ' ' VAL . 27.7 t -106.78 158.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.8 tttp -97.39 37.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -178.08 5.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.66 -59.13 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 71.7 Cg_endo -76.93 109.51 2.86 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.697 2.265 . . . . 0.0 112.269 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 48.6 Cg_endo -68.56 81.69 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.422 2.081 . . . . 0.0 112.294 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.8 p90 -100.85 173.01 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 19.9 m-85 -136.52 123.4 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.31 -155.35 6.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.694 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -144.47 148.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.681 HG21 HD11 ' A' ' 39' ' ' ILE . 36.1 mt -65.08 137.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.584 ' O ' HG13 ' A' ' 20' ' ' VAL . 25.8 mmm180 -121.61 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.456 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.7 t90 -127.92 134.5 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.681 HD11 HG21 ' A' ' 36' ' ' ILE . 12.4 mt -125.56 105.96 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.531 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.52 -168.01 28.05 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.744 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -129.4 115.34 18.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.733 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.38 159.66 15.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.396 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.1 87.46 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.587 2.192 . . . . 0.0 112.295 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.71 -50.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.861 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 112.02 18.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.655 0.264 . . . . 0.0 110.798 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.48 107.76 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.428 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.861 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.6 pt-20 -166.95 121.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.748 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.53 100.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 83' ' ' LYS . 6.8 mt -108.61 117.0 33.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.98 114.91 27.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 111.86 4.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 24' ' ' ALA . 57.3 mt -100.89 130.11 46.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -97.51 111.37 23.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 32' ' ' PHE . 9.3 mt -71.83 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.68 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -85.37 136.87 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.2 69.87 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.92 120.58 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.76 109.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.36 -27.99 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.7 m -87.05 -179.39 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.2 p -101.04 -176.67 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.634 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.4 p30 -111.58 31.4 6.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.08 33.06 3.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -132.51 119.15 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.42 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 24.4 t80 -112.48 107.13 15.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 60.73 38.64 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.55 28.47 71.01 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -128.21 93.95 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -60.63 131.92 52.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 21.1 m-85 -120.9 -42.42 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -149.8 163.43 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 73' ' ' THR . 9.7 t -100.5 120.3 39.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -143.56 170.46 15.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -61.07 152.95 26.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 63' ' ' ASP . 2.1 mt -67.92 142.4 56.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt 61.8 40.12 13.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.672 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 15.1 mtpt -151.68 39.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 107.11 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 tp -123.83 116.79 23.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 66' ' ' PHE . 91.0 m-85 -90.8 141.74 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.84 HG21 HG21 ' A' ' 26' ' ' VAL . 6.7 m -152.99 166.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.453 ' HA ' HD23 ' A' ' 49' ' ' LEU . 9.0 mttt -66.76 122.4 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 50' ' ' ALA . 21.3 tp -59.39 -29.63 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -64.01 -28.05 69.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 m -101.58 33.8 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 52.7 m -109.87 163.63 13.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.01 145.13 37.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.51 108.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.435 2.09 . . . . 0.0 112.203 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.31 132.12 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.83 26.59 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.922 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 ' O ' ' A' ' 87' ' ' CYS . 82.7 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.621 HG23 HD12 ' A' ' 39' ' ' ILE . 21.8 t -59.76 130.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.67 -28.05 15.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.4 m -90.44 157.71 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.628 HD23 ' HB ' ' A' ' 35' ' ' VAL . 6.1 mt -89.71 150.85 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 166.27 29.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -130.91 148.06 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.423 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 21.3 t -111.19 149.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.166 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -90.5 91.35 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -173.51 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 1.7 m-80 -71.15 -58.8 3.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 29' ' ' ASN . 92.2 Cg_endo -78.88 111.28 2.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.6 87.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.475 2.117 . . . . 0.0 112.219 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 54' ' ' LEU . 17.3 p90 -109.36 140.81 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.48 149.45 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.58 -177.51 34.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.628 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -127.67 145.65 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.492 HG21 HD11 ' A' ' 39' ' ' ILE . 37.0 mt -64.95 140.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' HG13 ' A' ' 20' ' ' VAL . 22.9 mmm180 -125.31 -61.49 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.463 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.6 t90 -127.39 132.55 50.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.621 HD12 HG23 ' A' ' 20' ' ' VAL . 2.3 mt -123.96 106.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.594 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.78 30.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.755 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -126.51 114.91 23.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.674 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.52 159.55 16.28 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.466 2.111 . . . . 0.0 112.275 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.72 87.45 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.544 2.162 . . . . 0.0 112.269 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.85 -51.3 0.41 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.29 113.14 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.36 108.02 5.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.72 120.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' A' ' 84' ' ' LEU . 20.5 t -64.04 99.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.732 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 83' ' ' LYS . 33.5 mt -106.19 113.95 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.751 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.99 114.92 27.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.84 114.47 6.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.418 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.2 mt -103.58 131.44 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -100.01 105.96 17.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 32' ' ' PHE . 12.0 mt -66.01 129.96 41.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.65 -31.15 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.34 122.72 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.11 91.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 22.8 m -101.71 141.47 34.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.75 133.32 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 28.46 5.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.2 m -134.06 143.31 47.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 p -80.02 -176.31 5.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -110.78 31.21 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.79 50.44 1.09 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.9 133.33 23.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 31.5 t80 -125.79 114.45 18.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG3' ' CD2' ' A' ' 66' ' ' PHE . 21.4 mtm180 60.34 36.25 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.06 28.55 71.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.7 m -126.39 96.47 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -60.67 120.69 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.424 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 15.9 m-85 -107.41 -42.29 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 42.0 p90 -147.02 165.92 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 t -105.06 118.43 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.52 -176.8 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -70.17 167.69 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.44 137.64 36.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 61.97 39.2 13.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 2.9 mtpt -147.37 39.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.68 109.31 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.2 tp -127.49 105.75 8.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -80.01 141.43 35.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.79 166.99 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HA ' HD23 ' A' ' 49' ' ' LEU . 13.6 mttt -69.7 122.28 18.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.52 ' CD2' HG11 ' A' ' 48' ' ' VAL . 13.0 tp -59.02 -33.45 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 m -104.09 31.71 4.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.469 ' O ' HD11 ' A' ' 18' ' ' LEU . 34.1 m -114.71 128.07 56.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.73 137.68 19.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.35 132.8 52.77 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.435 2.09 . . . . 0.0 112.264 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.33 104.15 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.01 26.54 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 36' ' ' ILE . 8.2 pt-20 -136.28 175.2 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.9 t -59.87 138.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.41 -28.72 12.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -90.96 152.59 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.2 mt -85.49 150.15 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.66 155.66 35.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -120.07 151.48 38.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG21 HG21 ' A' ' 82' ' ' VAL . 20.6 t -112.61 159.47 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.196 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.7 tppp? -93.59 46.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.27 166.78 14.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.515 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 5.2 m-80 -63.7 -50.23 72.71 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 87.4 Cg_endo -81.82 111.71 2.28 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.496 2.131 . . . . 0.0 112.248 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.37 115.76 2.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.399 2.066 . . . . 0.0 112.303 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 54' ' ' LEU . 8.4 p90 -142.03 157.95 44.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 40.6 m-85 -129.35 122.92 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.52 159.77 27.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.439 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.674 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -99.4 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 39' ' ' ILE . 43.2 mt -64.94 136.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.6 mmm180 -119.4 -62.14 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.7 t90 -127.67 133.88 49.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.845 HD11 HG21 ' A' ' 36' ' ' ILE . 30.5 mt -126.24 105.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.581 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -168.95 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.795 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -126.83 114.47 22.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.542 0.21 . . . . 0.0 110.715 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.64 159.66 16.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.472 2.114 . . . . 0.0 112.274 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.84 88.01 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.91 -51.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.535 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.844 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 111.96 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.655 0.265 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.03 107.83 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.844 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.86 120.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.803 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.51 100.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.715 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.545 HD13 ' CE2' ' A' ' 66' ' ' PHE . 24.0 mt -106.8 113.97 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.732 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.62 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.28 103.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.11 130.59 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.38 109.88 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 32' ' ' PHE . 7.6 mt -69.62 141.19 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.38 -31.25 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.32 137.05 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -76.86 93.64 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.68 124.08 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.16 124.57 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.44 -29.55 2.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.0 m -91.19 176.33 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.355 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 p -106.19 -170.26 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.688 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.0 p30 -105.56 32.29 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.76 33.62 3.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -128.86 128.13 43.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.545 ' CE2' HD13 ' A' ' 49' ' ' LEU . 22.2 t80 -111.69 111.68 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 60.35 35.63 20.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.86 28.98 55.76 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.7 m -132.35 104.96 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -64.72 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.404 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 8.0 m-85 -112.27 -42.83 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 35.2 p90 -140.45 -178.95 5.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 109.62 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.85 172.43 12.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.7 -177.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 63' ' ' ASP . 18.9 mt -88.97 137.95 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp 62.74 39.68 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -144.36 38.4 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.07 99.98 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -112.51 108.12 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 82' ' ' VAL . 97.5 m-85 -84.28 137.75 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.566 HG21 HG21 ' A' ' 26' ' ' VAL . 17.1 m -156.59 167.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.498 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.0 mttt -65.06 123.14 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 50' ' ' ALA . 22.2 tp -59.09 -30.49 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -63.91 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 m -97.59 32.55 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.94 152.59 33.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -132.64 145.09 55.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 128.23 28.87 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.53 2.154 . . . . 0.0 112.271 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.95 108.06 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -99.01 31.28 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' ILE . 6.2 pt-20 -138.55 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.8 t -58.89 130.8 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.09 -29.04 13.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.709 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.0 mt -87.82 150.85 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.07 165.53 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -126.12 160.95 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.53 152.06 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -86.93 119.0 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -170.02 -174.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.35 -58.02 4.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.51 109.77 2.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.504 2.136 . . . . 0.0 112.31 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.59 95.26 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.45 2.1 . . . . 0.0 112.241 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -116.41 173.01 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -136.66 127.32 27.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.25 152.49 21.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.709 ' HB ' HD23 ' A' ' 23' ' ' LEU . 12.7 p -99.8 145.91 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.662 HG21 HD11 ' A' ' 39' ' ' ILE . 42.9 mt -65.45 135.57 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.544 ' O ' HG13 ' A' ' 20' ' ' VAL . 22.5 mmm180 -120.47 -63.02 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.003 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.447 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 60.1 t90 -123.83 134.24 53.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.662 HD11 HG21 ' A' ' 36' ' ' ILE . 9.7 mt -125.43 105.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.27 -170.25 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.761 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -128.92 115.45 19.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.512 0.196 . . . . 0.0 110.743 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.33 159.74 15.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.517 2.145 . . . . 0.0 112.271 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.28 87.01 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.621 2.214 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.16 -50.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.628 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.834 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.32 112.73 18.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.821 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -73.24 107.88 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.421 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.834 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.3 pt-20 -166.75 121.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.811 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 84' ' ' LEU . 26.1 t -65.64 100.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 66' ' ' PHE . 17.8 mt -106.99 114.03 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.93 114.93 27.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.91 121.75 20.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.414 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD12 ' CG2' ' A' ' 82' ' ' VAL . 62.2 mt -112.62 126.79 55.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -95.9 111.18 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.26 128.01 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.96 -31.66 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.83 142.27 27.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.73 99.59 10.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.15 126.0 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.72 127.0 31.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.86 28.39 5.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.7 m -122.09 -173.91 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.752 0.31 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.9 p -111.14 -177.99 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -122.17 31.75 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.94 34.88 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.405 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 70' ' ' ARG . 41.4 p -138.22 134.44 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE2' HD13 ' A' ' 49' ' ' LEU . 11.4 t80 -113.47 107.2 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 58.48 42.7 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.21 28.74 59.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -130.07 94.05 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.612 ' HA ' HG22 ' A' ' 65' ' ' THR . 18.3 ttm180 -64.88 124.95 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.426 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 18.6 m-85 -113.27 -37.38 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.11 168.97 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 m -109.2 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.9 m -131.1 -176.83 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.614 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -61.14 164.44 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.3 137.47 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt 60.88 38.42 17.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 12.5 mtpt -148.11 40.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.43 111.1 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.6 tp -125.53 122.25 36.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 82' ' ' VAL . 85.8 m-85 -93.11 145.06 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.497 ' CG2' HD12 ' A' ' 52' ' ' LEU . 15.6 m -156.64 166.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.7 mttt -68.0 122.81 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 50' ' ' ALA . 22.3 tp -58.4 -35.49 72.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -63.93 -26.0 68.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -101.14 33.83 2.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.7 m -113.96 151.12 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -124.82 130.25 24.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.97 128.05 28.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.119 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -103.06 102.58 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.09 27.1 4.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 175.17 9.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.2 t -58.06 133.36 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.32 13.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' VAL . 58.0 m -82.99 154.87 24.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 35' ' ' VAL . 4.2 mt -90.69 151.0 21.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.68 159.85 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -116.63 165.33 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.29 136.74 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.94 87.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.95 162.62 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.537 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 8.3 m120 -59.18 -52.75 72.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 73.4 Cg_endo -74.92 111.41 3.32 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.278 1.986 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 91.41 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.589 2.192 . . . . 0.0 112.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.704 ' HB2' HD22 ' A' ' 54' ' ' LEU . 11.3 p90 -119.8 140.72 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -114.27 144.01 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.93 175.99 34.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.599 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.3 p -119.68 145.95 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.796 0.332 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.792 HG21 HD11 ' A' ' 39' ' ' ILE . 31.8 mt -66.27 135.43 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.61 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mmp_? -117.94 -66.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.6 t90 -121.21 131.11 54.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.073 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.792 HD11 HG21 ' A' ' 36' ' ' ILE . 33.1 mt -122.36 105.97 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.41 -167.72 26.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.702 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -129.16 115.52 18.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.543 0.211 . . . . 0.0 110.725 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.42 159.53 15.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.389 2.06 . . . . 0.0 112.287 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.05 87.38 0.87 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.519 2.146 . . . . 0.0 112.287 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.832 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.25 113.55 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.33 107.78 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.832 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.0 pt-20 -166.77 121.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.524 HG11 HD23 ' A' ' 84' ' ' LEU . 21.3 t -65.9 100.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.1 mt -108.98 117.09 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.644 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.3 114.97 27.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 112.31 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.555 HD12 ' CG2' ' A' ' 82' ' ' VAL . 25.7 mt -103.66 146.65 28.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.07 107.91 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 32' ' ' PHE . 11.6 mt -66.14 137.06 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.95 -32.05 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -92.72 129.27 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.41 103.69 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.44 133.68 51.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.83 135.04 50.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.7 28.63 6.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.549 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.3 160.72 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -96.98 -178.02 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.17 34.16 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -141.62 133.21 26.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 49' ' ' LEU . 23.1 t80 -119.86 111.7 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 60.39 36.3 20.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.23 63.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -132.05 94.15 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -63.57 126.86 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.424 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 22.6 m-85 -112.14 -40.39 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -139.14 169.2 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' THR . 10.4 t -106.35 113.95 27.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.52 -176.86 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -67.12 -178.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.85 135.58 35.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 61.03 38.21 17.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 6.1 mtpt -147.14 41.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.75 109.52 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.2 tp -123.99 121.67 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 79.1 m-85 -95.01 137.59 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.555 ' CG2' HD12 ' A' ' 52' ' ' LEU . 10.6 m -146.6 165.36 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -71.0 123.76 22.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.524 HD23 HG11 ' A' ' 48' ' ' VAL . 28.0 tp -58.44 -38.02 76.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -24.98 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -103.67 31.49 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.16 154.94 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 130.55 24.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 134.35 59.48 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.412 2.075 . . . . 0.0 112.265 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -101.89 116.39 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.92 28.97 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' A' ' 89' ' ' PRO . 42.6 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 pt-20 -144.74 179.18 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.47 132.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.52 -34.22 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -92.59 139.78 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.6 mt -68.05 143.97 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -143.71 147.86 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -112.14 147.57 35.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.663 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.9 t -107.06 158.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 tttp -100.83 75.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.32 -169.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.04 -58.55 1.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.781 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.408 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.4 Cg_endo -79.05 111.59 2.95 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 96.84 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.413 2.076 . . . . 0.0 112.231 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 4.4 p90 -119.64 151.26 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.45 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 10.8 m-85 -116.97 156.75 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.79 -178.4 43.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.443 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.415 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.1 p -124.56 143.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.599 HG21 HD11 ' A' ' 39' ' ' ILE . 37.4 mt -64.92 140.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -126.38 -63.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.444 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 52.9 t90 -122.26 132.89 54.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.599 HD11 HG21 ' A' ' 36' ' ' ILE . 20.5 mt -124.65 105.91 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.573 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.79 -169.47 28.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.801 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.05 114.9 21.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.576 0.226 . . . . 0.0 110.759 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -57.54 159.8 15.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.471 2.114 . . . . 0.0 112.233 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.9 87.89 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.505 2.136 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.99 -51.1 0.43 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.865 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.29 112.62 18.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.716 0.293 . . . . 0.0 110.811 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -73.27 107.83 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.973 0.416 . . . . 0.0 110.437 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.865 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.77 121.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 ' CD2' ' A' ' 84' ' ' LEU . 20.3 t -63.18 100.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.843 0.354 . . . . 0.0 110.673 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.644 HD13 ' CE2' ' A' ' 66' ' ' PHE . 17.1 mt -106.43 114.45 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.99 114.9 27.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 116.78 8.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.72 135.21 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.86 108.58 19.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.99 132.56 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.09 -32.95 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.39 136.6 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -73.99 109.57 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.3 m -104.69 132.28 51.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.08 123.94 22.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.41 28.66 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 82.0 m -127.25 175.43 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 16.5 p -107.82 173.12 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.698 ' HB3' HD23 ' A' ' 76' ' ' LEU . 5.3 p30 -101.73 31.44 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.54 42.88 1.2 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.679 HG22 ' CA ' ' A' ' 70' ' ' ARG . 7.4 p -139.88 121.39 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.644 ' CE2' HD13 ' A' ' 49' ' ' LEU . 28.5 t80 -104.06 119.95 40.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? 60.08 31.78 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.64 27.3 51.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 m -134.04 112.16 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.679 ' CA ' HG22 ' A' ' 65' ' ' THR . 7.7 ttm180 -75.07 127.96 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.41 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 16.6 m-85 -111.73 -36.42 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -139.51 176.45 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 p -112.24 114.1 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.46 176.4 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.96 179.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.698 HD23 ' HB3' ' A' ' 63' ' ' ASP . 9.5 mt -93.34 141.36 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp 61.52 37.31 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 5.8 mtpt -147.06 38.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -134.27 104.23 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 112.73 16.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 58.5 m-85 -83.93 151.57 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.663 HG21 ' CG2' ' A' ' 26' ' ' VAL . 15.8 m -155.88 166.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' A' ' 49' ' ' LEU . 28.1 mttp -68.32 118.52 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.545 ' CD2' HG11 ' A' ' 48' ' ' VAL . 9.3 tp -58.96 -33.56 70.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -64.06 -26.39 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 m -103.12 31.01 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 m -114.48 138.87 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 145.08 32.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.787 ' HA ' HD21 ' A' ' 18' ' ' LEU . 50.7 Cg_exo -53.74 125.75 19.64 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.471 2.114 . . . . 0.0 112.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 8.9 t0 -101.99 130.49 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.665 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -88.29 -75.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.45 ' NH1' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.173 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -65.6 145.63 55.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 p -86.93 97.94 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.49 -158.04 8.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.06 -39.77 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.97 126.39 39.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.8 -142.27 11.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt 65.23 39.39 5.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.85 0.357 . . . . 0.0 110.769 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.0 128.43 54.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.078 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.5 mtp -136.84 69.9 58.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.4 Cg_exo -55.25 -45.52 39.7 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.478 2.118 . . . . 0.0 112.439 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 33.9 Cg_exo -59.51 -19.4 51.9 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.34 2.026 . . . . 0.0 111.984 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.08 -93.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -105.67 -53.1 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -176.99 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -165.65 -58.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.56 64.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 87' ' ' CYS . 7.6 mt -108.32 110.7 22.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -141.56 174.63 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.7 t -62.51 133.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.4 -29.56 11.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.52 150.0 24.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HB ' ' A' ' 35' ' ' VAL . 11.1 mt -82.75 143.82 30.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.59 169.44 17.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -132.65 145.47 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.3 t -109.75 139.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 94.06 9.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -141.99 -177.93 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.13 -59.58 13.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.16 109.57 2.85 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.28 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.99 104.56 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.325 2.017 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -128.73 169.34 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 92' ' ' ARG . 18.4 m-85 -132.29 138.25 47.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 160.22 30.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.576 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.4 p -102.14 148.33 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.627 HG21 HD11 ' A' ' 39' ' ' ILE . 35.2 mt -67.03 146.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.9 mmm180 -128.93 -64.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.457 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.4 t90 -122.82 134.74 54.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 36' ' ' ILE . 34.7 mt -126.76 105.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.54 -172.07 32.5 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.83 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -126.08 114.87 24.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.522 0.201 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.35 159.77 15.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.479 2.12 . . . . 0.0 112.341 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.14 87.6 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.524 2.149 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.36 -50.49 0.43 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.587 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.835 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.36 112.68 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.23 107.81 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.556 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.835 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.65 121.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 84' ' ' LEU . 18.8 t -64.6 101.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.841 0.353 . . . . 0.0 110.559 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.5 114.03 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.11 114.97 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.99 113.75 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -104.4 130.54 52.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 108.57 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.77 133.83 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.68 -34.38 75.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.21 136.55 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.13 101.07 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.75 135.39 47.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.07 119.3 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.1 -28.35 3.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 m -79.19 175.49 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -110.1 -177.78 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.539 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.2 p30 -98.88 31.23 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 79' ' ' ALA . . . 92.82 40.61 4.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.466 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 70' ' ' ARG . 18.0 p -130.87 119.04 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -111.35 120.56 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 59.85 31.03 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.71 27.43 67.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -133.97 94.38 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HB2' HG22 ' A' ' 65' ' ' THR . 0.8 OUTLIER -63.76 125.23 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 47.4 m-85 -100.12 -36.41 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 22.6 p90 -139.42 177.77 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.798 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 m -111.9 114.23 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.52 178.61 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -69.95 173.86 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.9 mt -84.93 138.48 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 60.97 40.01 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 11.2 mtpt -149.17 37.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HB3' ' H ' ' A' ' 64' ' ' GLY . . . -144.48 105.1 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.58 119.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -85.76 139.16 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.537 HG21 ' CG2' ' A' ' 26' ' ' VAL . 17.8 m -147.73 165.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -69.26 120.25 14.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 48' ' ' VAL . 11.2 tp -58.46 -34.73 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -64.09 -26.12 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 m -102.94 31.27 4.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.508 ' HB2' HD13 ' A' ' 18' ' ' LEU . 27.5 m -108.5 159.66 16.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -132.2 135.29 26.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.3 130.63 40.76 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.423 2.082 . . . . 0.0 112.253 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -103.06 107.19 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.613 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.68 30.67 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 24.3 mtp85 -66.71 -30.54 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -123.55 30.38 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.613 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -95.33 122.81 38.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.764 ' O ' HD12 ' A' ' 96' ' ' LEU . 27.4 t -110.79 152.08 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 95' ' ' SER . 3.1 mp -139.43 101.86 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 60.56 87.65 0.13 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.08 -28.27 32.18 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.596 2.197 . . . . 0.0 112.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -134.88 152.64 51.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -70.77 -62.23 3.71 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.537 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.99 107.67 1.95 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.581 2.187 . . . . 0.0 112.291 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.7 p -86.33 -34.65 20.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.59 105.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.508 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -75.32 161.22 29.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -75.3 -43.17 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.03 145.67 19.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -169.05 89.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -92.44 94.18 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.83 34.57 4.69 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -104.31 -32.91 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.21 142.2 46.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.5 mtt -142.11 91.61 7.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.6 Cg_exo -57.7 -46.81 24.35 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.368 2.045 . . . . 0.0 112.423 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 49.6 Cg_exo -55.39 -22.28 33.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.245 1.963 . . . . 0.0 111.985 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.14 51.12 0.86 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 62.97 -79.81 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.765 0.317 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -142.14 -47.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -128.39 -45.53 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.98 62.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mt -80.06 97.66 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 36' ' ' ILE . 5.3 pt-20 -138.3 179.57 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 37' ' ' ARG . 29.5 t -61.22 135.97 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.43 6.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.63 149.44 25.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.486 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.6 mt -84.65 137.29 33.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.51 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.52 143.64 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 27' ' ' LYS . 20.6 t -98.32 158.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG12 ' A' ' 26' ' ' VAL . 26.1 mmtt -94.98 48.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.54 175.38 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.419 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 2.1 m-80 -59.82 -58.0 22.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 74.0 Cg_endo -75.6 109.77 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.586 2.191 . . . . 0.0 112.367 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 46.1 Cg_endo -68.28 83.28 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.423 2.082 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -101.04 173.05 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -133.87 128.12 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.65 175.52 26.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.6 p -120.12 142.34 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 39' ' ' ILE . 35.8 mt -63.77 136.75 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 20' ' ' VAL . 24.1 mmm180 -120.82 -63.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.45 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.5 t90 -124.37 133.02 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 36' ' ' ILE . 39.0 mt -124.6 105.98 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.604 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.24 30.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.837 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -128.09 115.07 20.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.521 0.201 . . . . 0.0 110.767 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.43 159.53 16.05 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.507 2.138 . . . . 0.0 112.266 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.1 87.3 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.558 2.172 . . . . 0.0 112.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.05 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.821 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.24 112.67 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.674 0.273 . . . . 0.0 110.848 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -73.13 107.86 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.821 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.86 121.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.795 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.68 99.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.82 0.343 . . . . 0.0 110.591 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.4 mt -106.84 114.59 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.02 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.54 106.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -94.47 128.76 41.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.01 111.6 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.65 138.5 50.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.28 -31.67 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.79 127.32 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.01 101.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.47 121.1 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 123.39 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.34 2.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -90.77 174.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -103.0 -170.27 1.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.548 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.6 p30 -104.9 31.33 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.32 46.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.9 p -135.9 122.51 20.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' A' ' 49' ' ' LEU . 9.4 t80 -109.69 117.43 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 60.3 35.97 20.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.88 65.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -133.52 107.28 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -71.82 122.35 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 20.4 m-85 -103.2 -41.15 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 48.4 p90 -135.53 172.33 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -108.78 114.21 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.59 -176.79 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -76.26 165.15 25.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.8 mt -77.3 141.95 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 62.6 39.6 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 10.2 mtpt -150.58 40.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.46 109.4 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 tp -124.33 108.25 12.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -81.41 133.67 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.416 HG21 HG21 ' A' ' 26' ' ' VAL . 17.1 m -148.9 167.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -66.01 123.04 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 50' ' ' ALA . 18.4 tp -58.89 -35.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -64.08 -25.62 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 m -97.52 34.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.0 m -115.99 160.16 20.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.2 144.25 50.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.47 122.42 11.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.487 2.124 . . . . 0.0 112.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.06 101.97 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.1 t -98.66 30.92 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -64.49 -30.81 71.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -107.4 30.85 5.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.472 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -58.76 122.01 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -106.69 153.77 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -171.52 99.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 60.58 162.7 0.1 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 125.8 12.6 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.505 2.137 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.54 -54.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.79 -162.68 30.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.96 -45.74 1.38 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.507 2.138 . . . . 0.0 112.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 m -145.87 77.18 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.66 -71.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.41 -1.216 . . . . 0.0 112.465 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -67.14 -62.76 1.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -61.33 134.13 56.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.27 125.85 2.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -90.53 157.15 17.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -77.06 114.35 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.04 87.53 0.47 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.08 -35.28 74.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.25 33.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -177.87 72.13 0.22 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.6 Cg_exo -57.5 -47.18 22.91 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.596 2.197 . . . . 0.0 112.592 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 93.0 Cg_endo -81.0 -37.81 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.439 2.093 . . . . 0.0 112.364 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.54 42.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.418 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -126.61 145.96 50.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.0 t -60.6 -43.11 97.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -158.36 -51.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.56 54.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.598 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.73 97.2 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -137.07 -179.03 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 37' ' ' ARG . 38.4 t -58.48 131.55 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.12 -30.74 8.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -81.19 137.53 35.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.656 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.9 mt -72.38 151.02 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.31 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.29 157.13 45.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 82' ' ' VAL . 21.6 t -120.29 148.14 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -90.82 83.93 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -131.36 -178.15 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.75 -58.83 13.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.91 109.61 2.88 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.64 2.226 . . . . 0.0 112.242 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.86 90.55 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.381 2.054 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.7 p90 -112.45 172.99 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -135.0 137.17 42.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.75 172.94 34.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.656 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -115.98 146.75 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.6 HG23 ' HB1' ' A' ' 50' ' ' ALA . 36.2 mt -63.43 147.8 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.589 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mmp_? -130.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 46.0 t90 -121.66 130.08 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.586 HD11 HG21 ' A' ' 36' ' ' ILE . 22.0 mt -120.91 105.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.646 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.25 -172.33 32.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.713 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -125.84 115.49 24.47 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.523 0.201 . . . . 0.0 110.702 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -57.45 159.59 15.94 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.482 2.122 . . . . 0.0 112.293 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.82 87.44 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.588 2.192 . . . . 0.0 112.309 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.3 -50.63 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.575 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.856 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.35 113.37 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.58 108.01 6.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.886 0.374 . . . . 0.0 110.477 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.856 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.63 121.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.547 HG11 HD23 ' A' ' 84' ' ' LEU . 25.0 t -63.77 100.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 66' ' ' PHE . 27.2 mt -106.52 114.8 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.93 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.39 104.78 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.596 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.49 146.16 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.4 104.86 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 32' ' ' PHE . 57.7 mt -66.13 140.62 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.9 -31.62 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.41 125.26 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.57 99.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 t -96.13 124.96 40.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.18 112.33 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.35 2.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.2 m -76.26 178.23 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -109.43 -178.3 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -106.6 35.58 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.13 44.55 2.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -135.17 129.4 33.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.518 ' CE2' HD13 ' A' ' 49' ' ' LEU . 14.0 t80 -122.63 122.29 38.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 60.39 31.26 20.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.51 63.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -133.5 112.77 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -65.77 123.73 20.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 7.4 m-85 -107.86 -44.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -143.37 162.31 36.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -99.73 116.57 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.75 179.47 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -69.09 156.71 38.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.43 139.4 51.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp 61.24 39.25 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.621 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.0 mtpt -149.1 40.52 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.74 109.27 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -123.89 106.3 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 69.9 m-85 -77.28 142.22 39.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 26' ' ' VAL . 16.4 m -155.98 166.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.2 mttt -68.71 123.55 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.547 HD23 HG11 ' A' ' 48' ' ' VAL . 27.6 tp -59.74 -33.05 71.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.91 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -99.87 31.63 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 83.4 m -115.97 135.53 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.08 145.06 33.29 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.43 136.38 56.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.295 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -99.54 119.93 38.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.627 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.7 30.66 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.59 -30.62 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -123.5 30.6 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.627 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -96.73 129.05 44.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p -88.21 113.28 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -129.56 63.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.78 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.2 OUTLIER -73.18 -60.49 1.76 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 97' ' ' GLN . 60.5 Cg_endo -72.99 -45.19 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.512 2.142 . . . . 0.0 112.344 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.43 -168.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.52 147.82 27.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.95 123.36 9.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.59 2.194 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -164.41 -66.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.57 -36.43 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.482 -1.177 . . . . 0.0 112.46 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -102.74 35.83 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -128.54 177.2 7.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.75 -66.8 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.529 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -163.29 -174.99 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -89.55 152.49 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.14 -125.06 5.54 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mp 59.96 82.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.875 0.369 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.75 58.9 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.83 64.72 0.51 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.7 Cg_exo -58.33 -47.43 19.68 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.517 2.145 . . . . 0.0 112.386 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 45.2 Cg_exo -55.95 -22.39 38.17 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.29 1.994 . . . . 0.0 112.073 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.9 -154.09 17.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.52 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 60.17 -177.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.3 p -69.31 -61.34 1.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.49 -72.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.83 57.85 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.4 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 87' ' ' CYS . 15.5 mt -91.32 107.44 19.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 pt-20 -135.76 -178.42 5.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.3 t -62.74 133.31 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.98 -39.93 2.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.556 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -78.84 147.99 32.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 10.4 mt -83.69 144.83 29.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 87' ' ' CYS . . . -144.45 137.54 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.07 130.14 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.771 HG21 HG21 ' A' ' 82' ' ' VAL . 21.2 t -95.67 143.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -85.32 57.6 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.2 -177.48 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.87 -59.2 13.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.1 109.57 2.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.626 2.217 . . . . 0.0 112.277 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.28 91.31 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.273 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -117.17 172.53 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 92' ' ' ARG . 11.7 m-85 -132.1 119.42 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -136.47 169.31 23.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -112.57 143.86 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.739 HG21 HD11 ' A' ' 39' ' ' ILE . 41.3 mt -65.95 132.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.552 ' O ' HG13 ' A' ' 20' ' ' VAL . 18.7 mmm180 -116.27 -62.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.495 ' CE2' ' CE1' ' A' ' 71' ' ' TYR . 54.0 t90 -124.96 133.14 53.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.739 HD11 HG21 ' A' ' 36' ' ' ILE . 20.6 mt -123.88 106.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.716 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.23 -168.01 27.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.785 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -127.52 114.99 21.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.593 0.235 . . . . 0.0 110.681 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.5 159.57 16.17 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.402 2.068 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.73 87.5 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.6 2.2 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.07 0.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.579 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.861 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.25 112.32 18.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.656 0.265 . . . . 0.0 110.767 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.29 107.92 5.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.861 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.75 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.748 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.481 HG11 HD23 ' A' ' 84' ' ' LEU . 20.2 t -64.46 97.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.73 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 66' ' ' PHE . 11.5 mt -106.67 115.84 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.681 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.01 114.98 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.85 107.79 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.47 132.92 40.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -101.51 105.33 16.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.98 134.35 52.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.31 -30.79 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.7 150.16 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.64 107.98 18.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 m -108.17 141.46 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 113.26 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.45 -28.31 3.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.18 162.13 29.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.93 -176.85 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.623 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.4 p30 -103.1 34.28 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 41.67 3.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.545 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 p -143.97 120.11 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 49' ' ' LEU . 7.3 t80 -92.19 98.85 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 59.73 29.23 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.39 -24.81 27.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 m -77.44 94.52 4.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -69.75 128.43 36.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CE1' ' CE2' ' A' ' 38' ' ' TRP . 60.9 m-85 -115.54 -42.18 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 11.9 p90 -138.99 -179.38 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.93 105.2 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 m -127.73 172.72 10.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.77 177.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 63' ' ' ASP . 9.3 mt -86.93 137.99 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 61.28 40.04 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.4 mtpt -147.14 36.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.62 99.28 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tp -113.01 124.79 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m-85 -97.04 132.69 42.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.771 HG21 HG21 ' A' ' 26' ' ' VAL . 28.6 m -146.78 166.99 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.3 mttt -66.37 124.59 23.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.481 HD23 HG11 ' A' ' 48' ' ' VAL . 45.3 tp -59.85 -30.62 69.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.961 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -97.23 31.19 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.453 ' HB2' HD13 ' A' ' 18' ' ' LEU . 91.7 m -116.09 152.42 33.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.46 145.05 55.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.28 116.87 3.24 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 1.9 t70 -102.99 110.83 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.629 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -111.21 27.41 9.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.962 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.415 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.2 -29.99 70.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.816 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 93' ' ' PHE . 7.2 m-85 -117.06 30.08 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -57.77 122.0 11.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.0 m -65.6 153.66 40.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 tt 60.64 97.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 4.5 tt0 -149.97 54.27 1.5 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 97' ' ' GLN . 58.4 Cg_endo -71.78 -168.54 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.576 2.184 . . . . 0.0 112.269 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 m -163.91 136.26 5.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.01 89.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.573 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.11 -41.87 3.48 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.585 2.19 . . . . 0.0 112.26 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m 61.02 156.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 p -108.56 122.91 48.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -1.3 . . . . 0.0 112.479 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 60.79 77.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m 60.41 -177.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.03 -172.97 49.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.525 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 60.74 -177.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -70.66 -176.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.72 -173.78 17.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -129.45 160.03 34.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.81 29.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.59 81.33 1.3 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 44.4 Cg_exo -53.54 -44.97 44.53 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.386 2.057 . . . . 0.0 112.345 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 24.7 Cg_exo -62.86 -20.92 72.57 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.327 2.018 . . . . 0.0 111.947 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.6 174.17 21.64 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.562 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -76.51 -55.72 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.6 t -135.46 -47.11 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -153.58 -47.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.01 55.09 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.43 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 24' ' ' ALA . 21.8 mt -107.08 103.29 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -145.39 178.65 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 37' ' ' ARG . 25.1 t -57.4 135.51 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.06 -39.93 2.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.5 m -75.13 152.12 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 ' HB ' ' A' ' 35' ' ' VAL . 8.6 mt -84.62 150.95 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.461 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . . . -151.57 164.59 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -132.26 143.45 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 82' ' ' VAL . 21.5 t -107.69 148.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.68 79.95 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.42 -177.91 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.67 -59.16 13.45 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 72.1 Cg_endo -77.0 109.64 2.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.297 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.7 Cg_endo -69.62 87.14 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.442 2.095 . . . . 0.0 112.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -107.87 169.82 8.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.39 124.75 32.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.44 171.79 25.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.765 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.6 p -118.31 146.21 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.762 HG21 HD11 ' A' ' 39' ' ' ILE . 43.4 mt -66.29 135.05 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.646 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -118.77 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.972 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.455 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.2 t90 -123.28 132.63 54.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 36' ' ' ILE . 22.0 mt -125.0 105.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.578 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -169.87 28.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.794 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -127.29 114.83 21.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.53 0.205 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.47 159.63 15.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.472 2.115 . . . . 0.0 112.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.88 87.63 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.21 -50.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.18 112.3 18.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.35 107.91 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.979 0.419 . . . . 0.0 110.536 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.84 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.74 120.95 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.486 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -63.61 100.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 110.715 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.609 HD13 ' CE2' ' A' ' 66' ' ' PHE . 22.6 mt -106.61 114.05 27.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.755 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.0 114.96 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.038 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.45 6.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.6 138.23 41.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -105.08 108.04 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.08 137.63 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.02 -31.63 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -90.93 124.51 35.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -62.99 100.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.94 123.9 37.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 110.02 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.57 -29.1 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.552 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.0 m -71.55 175.76 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 3.4 p -103.74 176.99 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.621 ' HB3' HD23 ' A' ' 76' ' ' LEU . 4.6 p-10 -106.73 31.59 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.06 41.19 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.591 HG22 ' HB2' ' A' ' 70' ' ' ARG . 40.9 p -143.72 126.67 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.609 ' CE2' HD13 ' A' ' 49' ' ' LEU . 21.8 t80 -109.72 110.36 21.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 60.36 37.64 20.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.27 28.22 58.44 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.547 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 m -133.91 95.69 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.591 ' HB2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -66.68 127.36 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 27.2 m-85 -109.83 -30.78 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -147.0 -178.09 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -117.12 115.27 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.0 m -139.14 178.42 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -64.87 -178.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.621 HD23 ' HB3' ' A' ' 63' ' ' ASP . 33.3 mt -92.37 138.27 31.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm 61.63 39.84 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 42.0 mtpt -148.6 36.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -138.27 100.56 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.8 tp -120.71 122.64 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -90.23 149.19 22.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 26' ' ' VAL . 25.0 m -156.54 166.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.455 ' HA ' HD23 ' A' ' 49' ' ' LEU . 19.6 mttt -68.47 122.27 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD2' HG11 ' A' ' 48' ' ' VAL . 16.5 tp -60.04 -33.05 71.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.89 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -99.71 31.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.6 m -115.96 160.51 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.45 141.11 32.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 135.35 66.64 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.487 2.124 . . . . 0.0 112.241 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -99.52 119.51 38.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.598 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.66 33.51 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -66.43 -30.21 70.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -132.11 35.57 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -93.78 129.31 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 p -88.86 129.3 35.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 mt -164.05 121.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -139.88 94.87 8.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.06 -28.55 19.56 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.543 2.162 . . . . 0.0 112.374 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.84 132.73 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.72 149.46 19.54 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.66 62.47 2.98 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.595 2.197 . . . . 0.0 112.287 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.3 t -90.96 -63.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.8 m -160.54 162.55 33.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.51 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -140.31 -48.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -84.21 -59.68 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.13 94.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.599 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -135.88 143.51 45.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -126.61 30.35 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.94 116.16 1.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.6 -78.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.53 73.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.17 64.91 0.23 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.1 Cg_exo -58.11 -46.92 22.49 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.502 2.135 . . . . 0.0 112.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 48.4 Cg_exo -55.42 -22.39 33.92 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.295 1.996 . . . . 0.0 112.068 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.26 -25.44 12.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.637 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -58.28 -171.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.964 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 t -72.24 -70.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -105.94 -38.13 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 55.02 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.16 98.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.36 179.24 7.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 37' ' ' ARG . 24.6 t -59.31 124.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 -35.86 4.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.593 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -76.33 142.24 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.488 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.4 mt -73.74 150.95 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 159.61 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -123.51 145.95 48.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.73 145.7 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 78.35 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.53 -170.25 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.24 -58.61 1.9 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.87 111.52 2.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.34 106.98 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.499 2.133 . . . . 0.0 112.235 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.491 ' HB2' HD22 ' A' ' 54' ' ' LEU . 10.7 p90 -135.15 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.04 144.62 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.65 158.95 29.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.3 p -106.83 141.09 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.747 HG21 HD11 ' A' ' 39' ' ' ILE . 36.2 mt -61.59 134.85 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.672 ' O ' HG13 ' A' ' 20' ' ' VAL . 31.5 mmm180 -118.6 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CE2' ' CD1' ' A' ' 71' ' ' TYR . 49.0 t90 -125.08 131.67 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.747 HD11 HG21 ' A' ' 36' ' ' ILE . 22.9 mt -122.67 105.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.4 -169.38 28.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.79 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.3 115.27 21.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.495 0.188 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.4 159.64 15.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.447 2.098 . . . . 0.0 112.289 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.82 87.5 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.549 2.166 . . . . 0.0 112.369 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.17 -50.66 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.85 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.27 112.34 18.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.763 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.31 107.92 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.394 . . . . 0.0 110.539 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.85 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.7 121.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.4 t -63.63 100.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.676 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.5 mt -107.49 115.61 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.88 114.92 27.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.44 103.54 1.27 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.03 142.85 27.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -111.99 108.94 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 32' ' ' PHE . 14.8 mt -66.05 134.95 53.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -65.26 -33.32 75.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.91 151.49 20.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -87.87 104.72 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.3 t -105.96 121.32 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 135.56 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.17 -28.52 7.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.1 m -82.77 -179.9 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -110.23 -175.45 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -103.99 33.22 3.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.84 40.18 3.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.61 118.97 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 49' ' ' LEU . 6.5 t80 -98.03 101.36 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 59.23 29.12 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 -20.47 49.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.704 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -86.79 96.91 10.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -72.9 123.9 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 38' ' ' TRP . 67.5 m-85 -102.65 -42.75 5.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 30.3 p90 -135.81 168.27 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -106.98 109.04 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.81 173.08 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -62.09 171.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.65 135.68 36.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp 61.48 47.17 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 9.3 mtpt -153.76 38.1 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.02 106.67 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -123.51 108.78 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.1 m-85 -80.1 139.54 36.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.8 m -151.28 166.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -65.95 121.93 16.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.48 ' CD2' HG11 ' A' ' 48' ' ' VAL . 15.9 tp -59.17 -33.32 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.73 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 m -98.31 29.73 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.1 m -116.0 150.61 36.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.1 145.03 55.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 128.11 28.29 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.514 2.142 . . . . 0.0 112.248 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -100.24 102.33 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.577 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -97.79 25.87 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -64.86 -29.69 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -113.07 27.38 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.577 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -72.75 129.4 38.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.7 m -72.74 115.92 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.9 mt -149.74 82.45 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -123.99 151.64 65.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.93 173.81 10.58 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.568 2.179 . . . . 0.0 112.29 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.0 m -120.49 120.39 35.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.21 165.97 24.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.22 106.05 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.6 2.2 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.3 t -158.51 157.63 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.0 p -169.05 113.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.546 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -107.24 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -121.92 35.08 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.1 174.19 42.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.569 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.66 34.01 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -106.5 154.97 20.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.39 -130.16 9.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mt -124.3 123.91 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.57 158.34 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.2 mtp -157.65 87.65 2.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.2 Cg_exo -58.1 -47.15 21.37 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.549 2.166 . . . . 0.0 112.365 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 48.4 Cg_exo -55.39 -22.08 32.39 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.292 1.994 . . . . 0.0 112.104 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.08 63.51 0.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 59.97 50.61 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.5 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -133.67 -58.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.33 60.97 0.2 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -90.17 107.36 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -145.27 178.06 8.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 37' ' ' ARG . 36.5 t -58.41 138.05 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.47 2.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -75.52 141.77 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.647 HD23 ' HB ' ' A' ' 35' ' ' VAL . 8.8 mt -70.88 148.21 48.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -150.45 153.22 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.3 tt0 -120.14 153.67 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.763 HG21 HG21 ' A' ' 82' ' ' VAL . 28.5 t -124.35 135.69 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -75.91 81.54 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -125.69 177.35 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.07 -58.73 17.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.27 109.73 2.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.94 85.38 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.371 2.047 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 14.7 p90 -106.88 172.8 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 10.9 m-85 -140.05 115.67 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.55 -174.14 13.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.647 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.4 p -125.73 145.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 111.062 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' HB1' ' A' ' 50' ' ' ALA . 41.3 mt -60.43 153.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mmp_? -135.44 -67.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.49 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 45.8 t90 -120.64 130.95 54.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 36' ' ' ILE . 13.4 mt -122.03 105.99 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.514 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.19 -168.56 27.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.818 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -129.57 115.37 18.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.552 0.215 . . . . 0.0 110.761 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.58 159.52 16.56 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.344 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.03 87.72 0.85 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.593 2.195 . . . . 0.0 112.23 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.4 -50.06 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.556 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.862 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.28 112.16 18.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.12 107.72 5.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 110.58 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.862 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.98 124.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.421 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -67.41 101.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.669 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 mt -108.15 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.31 102.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.574 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 24' ' ' ALA . 56.7 mt -88.33 144.25 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.7 111.76 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 13.2 mt -68.56 152.44 45.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.21 -31.71 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -98.15 126.76 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -68.88 96.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.69 128.45 53.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.65 121.01 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 138.42 -28.18 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.569 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m -87.08 167.82 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 -176.93 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.47 31.38 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.32 37.83 3.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.479 HG22 ' CA ' ' A' ' 70' ' ' ARG . 3.1 p -136.56 119.0 15.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -99.81 106.79 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 60.7 40.43 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 28.36 60.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 m -132.74 93.91 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CA ' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -61.22 134.45 57.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.49 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -117.45 -39.17 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -141.58 -178.38 5.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 t -116.71 112.92 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 m -144.05 175.43 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -64.31 154.56 34.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.06 147.55 44.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt 61.92 33.28 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 13.3 mtpt -147.61 38.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.06 100.33 3.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.424 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tp -115.06 108.75 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 82' ' ' VAL . 95.3 m-85 -77.66 144.1 37.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.763 HG21 HG21 ' A' ' 26' ' ' VAL . 16.7 m -157.37 166.13 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -70.2 123.95 22.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 48' ' ' VAL . 17.7 tp -58.96 -36.16 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -25.66 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.5 m -100.55 31.19 3.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 99.6 m -112.28 150.32 31.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -123.37 141.85 37.21 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.65 126.93 24.03 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.525 2.15 . . . . 0.0 112.23 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.93 98.34 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.649 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.3 29.72 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -66.33 -30.42 70.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -123.02 30.5 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.996 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.649 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -98.77 122.61 42.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 97.8 p -71.22 107.89 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.84 -46.44 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -60.73 1.51 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.04 -171.25 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.524 2.149 . . . . 0.0 112.297 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.79 83.31 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.04 156.49 50.4 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 178.17 4.96 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.575 2.183 . . . . 0.0 112.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -126.84 -48.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -155.12 -59.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.543 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 112.72 6.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -80.67 106.93 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.93 178.7 33.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.59 168.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.65 94.23 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.34 75.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -117.89 150.97 38.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.79 36.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -164.07 65.79 1.36 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.7 Cg_exo -58.59 -47.36 19.27 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.556 2.171 . . . . 0.0 112.463 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 51.3 Cg_exo -55.1 -22.52 31.93 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.244 1.963 . . . . 0.0 112.041 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.69 -55.15 0.72 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -145.17 97.52 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.31 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.29 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -124.26 -43.92 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.9 71.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 mt -100.17 111.48 23.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -142.69 174.04 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.4 t -59.48 132.1 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.24 -35.09 5.25 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.0 m -80.22 151.69 29.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.328 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 35' ' ' VAL . 5.9 mt -79.88 150.98 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -150.45 156.39 41.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -131.06 144.07 51.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 27' ' ' LYS . 20.3 t -104.0 158.85 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -98.05 37.04 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.36 177.73 8.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.67 -58.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 73.0 Cg_endo -76.39 109.67 2.91 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.587 2.191 . . . . 0.0 112.317 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 48.4 Cg_endo -68.7 86.91 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.406 2.071 . . . . 0.0 112.282 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -106.56 171.83 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -132.67 135.4 45.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.17 -162.72 11.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -140.95 148.42 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.732 HG21 HD11 ' A' ' 39' ' ' ILE . 38.3 mt -64.98 137.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.587 ' O ' HG13 ' A' ' 20' ' ' VAL . 28.0 mmm180 -121.76 -60.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.465 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.5 t90 -128.33 133.52 48.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.732 HD11 HG21 ' A' ' 36' ' ' ILE . 21.6 mt -124.39 106.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.639 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.01 -168.39 28.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.724 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -127.3 114.86 21.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.503 0.192 . . . . 0.0 110.688 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.69 159.65 16.61 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.485 2.123 . . . . 0.0 112.251 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.76 87.87 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.519 2.146 . . . . 0.0 112.28 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -51.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.528 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.859 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.695 0.283 . . . . 0.0 110.751 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.27 107.92 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.859 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.81 120.94 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.775 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.578 HG11 HD23 ' A' ' 84' ' ' LEU . 21.4 t -63.71 98.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 83' ' ' LYS . 10.2 mt -106.98 115.21 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.96 114.94 27.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.76 111.43 3.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 24' ' ' ALA . 74.0 mt -97.99 130.7 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.34 108.55 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mt -66.09 148.42 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.11 -32.72 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -100.39 148.33 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.73 83.76 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.3 m -77.24 126.52 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.77 114.15 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.66 -28.33 2.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.0 m -82.26 173.82 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 71.2 p -105.18 -177.21 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.601 ' HB3' HD23 ' A' ' 76' ' ' LEU . 4.6 p-10 -98.56 31.55 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.79 43.52 2.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 70' ' ' ARG . 40.2 p -137.7 119.04 14.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -102.18 107.83 19.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 59.72 39.9 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.31 28.34 64.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 m -130.73 94.03 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HB2' HG22 ' A' ' 65' ' ' THR . 1.2 ttt180 -70.06 120.22 15.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.428 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 49.9 m-85 -101.3 -34.92 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 21.0 p90 -140.69 -178.48 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 73' ' ' THR . 6.9 t -114.47 114.91 26.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -141.13 171.55 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -63.54 179.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 63' ' ' ASP . 4.5 mt -91.94 142.65 27.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp 61.55 35.99 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.641 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 32.9 mtpt -147.18 36.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -139.54 105.82 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -124.01 114.21 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -84.58 141.63 30.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 26' ' ' VAL . 16.9 m -153.62 166.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.6 mttp -64.61 131.21 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 HG11 ' A' ' 48' ' ' VAL . 33.8 tp -70.47 -31.71 68.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -27.51 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.0 m -104.23 31.76 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.28 135.33 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.18 126.8 30.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 127.47 25.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.298 1.999 . . . . 0.0 112.311 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.32 102.3 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.542 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.73 30.42 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -66.55 -29.06 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -131.59 30.16 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.542 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -101.31 122.03 42.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.047 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.7 t -68.25 133.47 48.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.4 mt -143.41 122.71 13.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.64 103.96 18.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.72 136.6 21.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.452 2.101 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -95.26 -44.67 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.56 -150.36 5.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.23 -35.34 14.39 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.591 2.194 . . . . 0.0 112.263 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 p -176.26 -49.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -168.77 172.88 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.448 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -62.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -59.81 156.16 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.5 170.59 0.39 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.73 -64.7 0.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.769 0.319 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 67.82 92.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.57 -44.7 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.446 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mt -107.08 82.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.69 130.55 23.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 ttm -134.04 90.32 26.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.478 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.8 Cg_exo -55.8 -45.85 35.91 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.507 2.138 . . . . 0.0 112.332 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 31.6 Cg_exo -58.54 -20.19 48.39 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.278 1.985 . . . . 0.0 112.02 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.16 -143.43 1.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -86.87 -46.09 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.1 p -175.18 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.66 -48.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.811 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.48 61.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -102.34 111.49 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -141.56 178.98 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ARG . 23.0 t -58.56 141.36 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.39 -38.32 3.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.9 m -82.57 158.17 23.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -90.84 150.26 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.39 158.07 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.6 tt0 -119.94 148.73 43.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.4 t -111.87 148.8 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -92.24 83.02 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.24 -168.77 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 2.1 m-80 -75.71 -58.6 1.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.5 Cg_endo -79.03 111.3 2.91 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.05 109.36 0.92 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.416 2.077 . . . . 0.0 112.23 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' A' ' 54' ' ' LEU . 2.9 p90 -132.52 164.85 25.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 30.8 m-85 -133.32 137.99 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.87 174.17 32.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 22' ' ' SER . 11.8 p -117.56 139.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.685 HG23 ' HB1' ' A' ' 50' ' ' ALA . 36.0 mt -60.51 136.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -121.67 -64.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.486 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 46.5 t90 -120.15 131.31 54.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.648 HD11 HG21 ' A' ' 36' ' ' ILE . 37.5 mt -122.08 106.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.574 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.35 -168.13 27.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.786 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.62 115.3 21.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.502 0.191 . . . . 0.0 110.783 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.43 159.87 15.23 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.497 2.132 . . . . 0.0 112.27 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.95 87.56 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -50.87 0.43 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.621 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 112.6 18.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.268 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -73.46 107.87 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.6 pt-20 -166.87 121.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.2 t -63.16 99.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.66 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 83' ' ' LYS . 12.4 mt -108.24 117.25 33.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.685 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.98 27.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 105.01 1.44 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.443 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.49 143.41 26.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -109.47 109.68 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 32' ' ' PHE . 13.6 mt -67.46 135.15 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.6 -35.23 78.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.23 134.23 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -60.14 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.3 t -86.38 123.95 32.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 117.16 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.45 42.32 1.5 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.5 m -136.63 169.91 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -104.19 -179.29 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.55 ' HB3' HD23 ' A' ' 76' ' ' LEU . 13.3 p-10 -107.87 31.4 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.63 28.7 5.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.43 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 p -128.42 119.04 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -107.62 115.29 29.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 60.22 36.42 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.39 65.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.555 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.2 m -133.86 94.43 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 134.06 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 26.4 m-85 -115.63 -38.4 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -139.14 -178.95 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.58 107.66 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.47 -177.88 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.633 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -71.61 161.56 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 63' ' ' ASP . 2.4 mt -76.83 144.7 38.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 60.44 35.93 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.633 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.2 mtpt -148.69 38.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.51 101.67 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.5 tp -117.21 113.54 22.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -84.13 139.12 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 26' ' ' VAL . 19.8 m -148.76 166.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.0 mttt -68.23 122.51 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' HG11 ' A' ' 48' ' ' VAL . 11.5 tp -58.82 -38.61 79.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -63.98 -24.64 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -101.32 33.88 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.25 145.66 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -117.46 141.94 29.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.27 126.79 23.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.473 2.115 . . . . 0.0 112.329 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -103.04 102.19 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.617 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -98.7 30.72 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.39 -30.59 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -116.12 27.6 9.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.617 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -102.04 125.42 48.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.191 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 m -94.14 134.64 36.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.7 tp -165.01 126.44 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.986 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -112.73 150.57 42.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.17 -177.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.32 -64.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.11 93.6 2.31 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -50.76 125.04 14.8 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.581 2.187 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m 60.75 74.5 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.9 m -81.38 156.29 25.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.535 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -106.84 132.92 52.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.09 91.56 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.26 161.49 35.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -155.63 -48.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 p -84.41 156.3 21.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.53 45.86 0.18 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -111.87 33.53 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.44 45.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.453 ' N ' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -139.72 61.06 17.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 10' ' ' MET . 32.6 Cg_exo -59.38 -47.88 15.43 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.406 2.071 . . . . 0.0 112.805 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 85.1 Cg_endo -83.23 -44.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.483 2.122 . . . . 0.0 112.758 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.28 -139.31 6.14 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.785 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -142.2 140.85 32.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.39 -78.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -105.43 -42.98 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.98 59.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 89' ' ' PRO . 35.2 mt -84.69 102.27 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 37' ' ' ARG . 24.0 t -58.58 136.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.58 -38.53 3.09 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.04 148.88 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD23 ' HB ' ' A' ' 35' ' ' VAL . 7.1 mt -83.7 149.22 26.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.52 146.45 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -110.53 154.31 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 82' ' ' VAL . 21.5 t -115.31 152.82 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.23 106.85 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.29 -169.66 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.28 -58.52 1.9 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 109.54 2.81 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.67 117.78 5.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.359 2.039 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -138.41 161.98 35.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -128.42 134.97 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.67 -169.24 19.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.752 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.5 p -133.4 146.36 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.076 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.707 HG23 ' HB1' ' A' ' 50' ' ' ALA . 43.5 mt -66.38 141.22 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.538 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 mmp_? -121.97 -66.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.456 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.7 t90 -120.62 131.49 54.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 36' ' ' ILE . 4.7 mt -121.94 105.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.62 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.85 -168.79 28.55 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.78 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -127.67 115.45 20.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.45 159.45 16.29 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.393 2.062 . . . . 0.0 112.206 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.84 87.46 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.542 2.161 . . . . 0.0 112.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.58 -50.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.577 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.855 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.26 112.38 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 110.795 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.12 107.95 5.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.864 0.364 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.855 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.75 120.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.747 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.465 HG11 ' CD2' ' A' ' 84' ' ' LEU . 19.3 t -64.39 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.849 0.357 . . . . 0.0 110.651 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 83' ' ' LYS . 29.2 mt -108.15 117.24 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.786 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.01 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.46 103.75 1.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.29 151.95 21.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -117.54 104.82 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.19 135.99 52.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -70.02 -36.04 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.83 126.21 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.03 87.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.0 m -91.36 139.17 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.84 131.61 44.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.91 -28.4 7.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.16 164.25 26.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.45 -176.6 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -109.73 31.35 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.39 41.07 2.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 70' ' ' ARG . 74.8 p -141.72 136.73 31.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 10.3 t80 -108.63 108.4 19.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 58.35 29.42 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.32 -20.44 47.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.591 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 m -84.34 108.97 17.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HA ' HG22 ' A' ' 65' ' ' THR . 10.9 ttm180 -77.46 128.32 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 48.7 m-85 -111.48 -46.58 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 12.6 p90 -133.24 168.58 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -108.79 103.53 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.05 173.91 10.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.72 157.4 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.8 145.63 40.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 60.32 31.43 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.635 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 8.0 mtpt -143.6 40.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.51 109.3 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -121.16 112.87 19.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -83.4 138.27 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 26' ' ' VAL . 15.7 m -151.83 167.03 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.536 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.1 mttt -67.06 123.2 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.465 ' CD2' HG11 ' A' ' 48' ' ' VAL . 18.0 tp -59.23 -35.7 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -25.73 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.3 m -98.15 29.55 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 80.0 m -116.01 149.57 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.95 143.34 46.5 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' N ' HD21 ' A' ' 18' ' ' LEU . 51.7 Cg_exo -54.2 133.5 55.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.518 2.145 . . . . 0.0 112.276 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -102.97 113.54 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.58 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -98.75 30.25 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -30.14 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -122.66 30.66 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.58 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -65.33 131.4 46.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.42 161.02 14.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.99 -38.07 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.412 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 2.8 mp0 -75.87 -61.5 0.87 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 97' ' ' GLN . 69.7 Cg_endo -74.54 176.91 9.1 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.513 2.142 . . . . 0.0 112.387 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m 59.72 175.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.44 63.62 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.15 -49.06 18.62 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.617 2.211 . . . . 0.0 112.32 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.7 m -99.29 158.84 15.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -142.32 174.68 10.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.329 -1.262 . . . . 0.0 112.528 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -107.19 102.77 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 p -142.62 31.27 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.29 -144.12 48.16 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -66.36 -174.19 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -131.97 172.15 12.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.73 59.18 0.37 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mt -93.04 94.64 8.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.7 85.7 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -168.8 67.31 0.68 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.459 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 32.3 Cg_exo -57.24 -47.04 24.23 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.574 2.183 . . . . 0.0 112.606 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 11' ' ' PRO . 99.0 Cg_endo -80.03 -31.36 1.82 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.393 2.062 . . . . 0.0 112.445 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.35 -153.61 21.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 60.55 -178.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -52.58 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.79 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.58 76.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt -93.56 104.57 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.37 177.94 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 37' ' ' ARG . 22.0 t -60.54 140.09 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.63 -28.4 14.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.417 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' VAL . 68.7 m -92.89 158.29 15.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.9 mt -89.54 150.99 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.28 159.1 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -122.72 145.2 48.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.007 HG21 HG21 ' A' ' 82' ' ' VAL . 25.4 t -112.62 127.78 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.63 125.05 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.55 174.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.67 -59.61 13.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 73.6 Cg_endo -76.1 109.78 2.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 55.9 Cg_endo -69.96 87.44 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.363 2.042 . . . . 0.0 112.341 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.484 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.4 p90 -104.38 160.09 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.15 127.64 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' HD22 ' A' ' 52' ' ' LEU . . . -149.06 156.82 27.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.528 ' HB ' HD23 ' A' ' 23' ' ' LEU . 10.7 p -99.59 142.44 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.64 HG23 ' HB1' ' A' ' 50' ' ' ALA . 37.8 mt -62.25 146.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 19.3 mmm180 -130.36 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.452 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 57.7 t90 -117.61 133.32 56.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 36' ' ' ILE . 31.4 mt -124.92 105.95 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.47 -169.49 29.15 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.837 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -128.15 115.07 20.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.526 0.203 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD3' HD12 ' A' ' 49' ' ' LEU . 43.6 Cg_exo -57.51 159.72 15.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.498 2.132 . . . . 0.0 112.317 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.08 87.8 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.553 2.169 . . . . 0.0 112.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.27 -50.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.842 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.25 112.0 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.669 0.271 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -73.55 107.6 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.842 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.2 pt-20 -167.0 120.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.694 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.4 t -62.09 105.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.612 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' HD3' ' A' ' 42' ' ' PRO . 7.6 mt -110.19 118.28 35.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -94.25 114.93 27.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.4 102.97 1.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 34' ' ' GLY . 79.3 mt -90.48 136.41 33.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -103.66 108.56 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 32' ' ' PHE . 8.7 mt -66.07 134.88 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.02 -31.44 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.93 127.17 48.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.13 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.48 123.81 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.17 116.94 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.23 -28.62 2.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.4 m -89.11 175.0 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -106.87 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.674 ' HB3' HD23 ' A' ' 76' ' ' LEU . 19.9 p-10 -98.33 34.03 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.73 38.75 3.34 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.01 118.99 21.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -110.21 108.62 18.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.26 35.88 20.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.2 28.84 63.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -127.82 94.02 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -62.0 122.63 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 15.7 m-85 -108.68 -40.35 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 24.1 p90 -147.15 174.19 11.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 73' ' ' THR . 9.5 t -108.68 118.0 35.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.88 -178.95 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.622 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -73.99 156.67 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 63' ' ' ASP . 6.9 mt -70.33 142.55 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp 60.96 37.08 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.622 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 6.3 mtpt -147.88 38.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -142.9 98.97 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 tp -112.43 103.29 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 82' ' ' VAL . 96.2 m-85 -73.17 142.77 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.007 HG21 HG21 ' A' ' 26' ' ' VAL . 14.8 m -158.03 167.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.012 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HA ' HD23 ' A' ' 49' ' ' LEU . 7.1 mtmt -74.12 126.21 30.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 111.159 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.35 -42.4 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -63.97 -22.71 67.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.1 m -98.25 29.43 3.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' ' 26' ' ' VAL . 21.0 m -115.96 169.99 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.99 143.23 30.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 128.33 29.75 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.453 2.102 . . . . 0.0 112.254 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.01 116.84 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 32.4 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -31.62 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -134.3 31.66 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.98 136.88 45.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -85.64 146.72 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 tp -103.52 -63.0 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 60.66 78.28 0.33 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.38 107.36 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.537 2.158 . . . . 0.0 112.332 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m -142.42 -50.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 102.53 -150.31 17.98 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.69 169.11 19.58 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.573 2.182 . . . . 0.0 112.254 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -111.39 -52.22 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.38 -51.93 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.32 -1.266 . . . . 0.0 112.467 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 m -78.03 136.32 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.51 162.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.3 -46.16 2.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t 60.67 86.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -146.0 -54.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.17 121.55 6.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mt -111.61 36.9 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.49 80.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.15 75.21 0.52 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.3 Cg_exo -58.28 -47.39 19.94 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.536 2.157 . . . . 0.0 112.38 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 44.4 Cg_exo -56.27 -21.66 37.28 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.243 1.962 . . . . 0.0 112.117 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.41 -28.25 6.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.403 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -117.26 -51.33 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 t -175.85 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -130.84 -46.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.89 56.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt -76.37 97.41 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 175.21 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 37' ' ' ARG . 22.5 t -58.72 122.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.21 -28.52 9.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.3 m -88.13 158.67 18.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.0 mt -87.48 151.04 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -146.84 167.54 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.4 tt0 -133.56 148.87 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 27' ' ' LYS . 21.3 t -115.69 156.22 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' N ' HG12 ' A' ' 26' ' ' VAL . 9.5 tttm -96.22 62.41 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -101.99 -172.93 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.07 -58.7 3.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.02 111.72 2.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.697 2.264 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 89.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.473 2.115 . . . . 0.0 112.203 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -109.68 168.84 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 29.5 m-85 -138.32 112.92 8.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.79 176.89 16.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -121.48 144.29 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.621 HG21 HD11 ' A' ' 39' ' ' ILE . 34.1 mt -62.41 136.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 20' ' ' VAL . 28.1 mmm180 -124.33 -59.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.497 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 60.4 t90 -128.21 134.09 48.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.621 HD11 HG21 ' A' ' 36' ' ' ILE . 22.5 mt -124.88 106.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.47 -171.78 33.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.735 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -128.1 115.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.534 0.206 . . . . 0.0 110.701 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.57 159.61 16.31 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.449 2.1 . . . . 0.0 112.36 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 87.3 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.547 2.165 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.08 -50.05 0.42 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.552 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.3 112.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 110.821 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.41 107.77 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.463 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.795 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.88 121.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.426 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.6 t -64.95 102.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 66' ' ' PHE . 16.4 mt -108.05 115.45 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.76 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.25 122.98 26.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD12 ' CG2' ' A' ' 82' ' ' VAL . 45.4 mt -114.77 130.01 56.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.78 105.83 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.52 139.56 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.45 -43.19 86.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.26 131.25 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -73.19 108.89 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.58 137.34 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.45 106.86 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.72 -28.63 2.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.5 m -66.61 169.11 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -102.66 -178.62 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -110.48 30.86 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.86 40.92 2.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 128.65 20.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE2' HD13 ' A' ' 49' ' ' LEU . 11.9 t80 -109.9 107.61 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 60.3 39.6 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.45 28.09 62.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 m -130.76 94.83 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.99 132.57 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 13.6 m-85 -118.48 -40.98 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 27.9 p90 -141.15 -178.46 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 m -115.32 112.72 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.78 -177.73 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -71.48 -176.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -93.37 140.24 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt 60.91 39.97 16.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.583 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.2 mtpt -148.72 41.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.29 107.42 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -126.61 110.88 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -85.01 137.74 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.608 ' CG2' HD12 ' A' ' 52' ' ' LEU . 14.1 m -145.78 167.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.423 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.8 mttt -68.54 121.41 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 50' ' ' ALA . 16.2 tp -59.65 -29.94 68.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -63.93 -28.01 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.5 m -105.64 31.53 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.49 139.78 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.64 145.16 31.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 106.66 2.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.489 2.126 . . . . 0.0 112.363 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -66.54 129.81 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -109.15 30.98 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -66.96 -31.01 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -127.26 28.01 5.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -102.04 122.01 43.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 p -99.51 121.79 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.7 tt -92.67 -31.74 15.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.38 149.24 95.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.77 140.23 57.38 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.609 2.206 . . . . 0.0 112.263 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.11 132.16 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.58 167.01 15.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.08 -30.74 41.8 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.62 2.214 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.7 t -102.13 177.43 4.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.2 t -157.19 156.09 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.553 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -80.19 95.94 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -74.73 93.22 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.67 74.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -71.87 107.28 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -74.11 122.72 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.93 175.42 54.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -130.53 -178.93 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.92 103.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -173.49 68.27 0.35 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 32.1 Cg_exo -57.21 -47.28 23.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.636 2.224 . . . . 0.0 112.542 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 11' ' ' PRO . 98.2 Cg_endo -80.21 -35.75 0.61 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.354 2.036 . . . . 0.0 112.48 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.08 -179.31 18.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 60.34 179.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 t -74.99 -64.68 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -111.3 -60.38 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.61 61.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.523 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.542 HD21 ' HD3' ' A' ' 89' ' ' PRO . 4.3 mt -82.34 98.86 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pt-20 -139.56 178.43 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.3 t -62.86 131.5 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.37 -31.61 8.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -85.81 151.81 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 35' ' ' VAL . 15.2 mt -80.3 150.51 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.451 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -153.28 156.23 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.4 tt0 -123.79 148.11 46.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 82' ' ' VAL . 24.8 t -112.94 157.9 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 tttt -97.16 39.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.14 -177.98 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.21 -58.53 12.1 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.47 109.64 2.9 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.606 2.204 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.35 94.87 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 8.2 p90 -122.25 172.97 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.1 m-85 -131.39 121.13 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.65 166.59 25.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.64 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -107.81 147.4 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.081 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.649 HG21 HD11 ' A' ' 39' ' ' ILE . 40.1 mt -64.59 139.37 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 20' ' ' VAL . 31.2 mmm180 -124.53 -60.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 59.6 t90 -127.33 133.77 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.649 HD11 HG21 ' A' ' 36' ' ' ILE . 19.7 mt -125.02 105.93 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.513 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.06 -169.12 29.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -129.08 115.5 18.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.578 0.227 . . . . 0.0 110.709 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.38 159.63 15.61 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.52 2.147 . . . . 0.0 112.328 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.13 87.49 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.89 -50.36 0.42 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.631 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.849 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.26 113.26 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 110.868 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -73.37 107.81 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.429 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.849 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.3 pt-20 -166.94 121.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -65.46 100.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 83' ' ' LYS . 6.9 mt -108.06 116.76 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.21 114.93 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.24 113.69 5.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.415 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' A' ' 82' ' ' VAL . 14.3 mt -101.63 131.59 47.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 6.8 mt -67.91 143.22 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.4 -31.62 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.54 133.89 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.57 97.56 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.14 129.41 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.01 131.38 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.81 28.39 4.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.2 m -137.75 151.93 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -88.69 -173.42 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -110.14 31.87 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.55 44.75 1.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.14 119.13 12.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 49' ' ' LEU . 28.6 t80 -109.64 118.53 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 60.38 32.2 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.08 28.44 60.4 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -131.59 104.52 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -64.3 129.56 40.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -113.11 -37.5 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -151.59 172.81 15.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 73' ' ' THR . 9.6 t -107.17 116.86 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.7 m -143.95 171.15 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -60.11 152.75 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.11 146.29 50.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt 60.22 33.82 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.487 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 3.5 mtpt -149.04 37.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.68 99.16 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.411 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 62.8 tp -119.04 123.16 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 89.8 m-85 -93.09 141.35 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 26' ' ' VAL . 16.1 m -149.07 166.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HA ' HD23 ' A' ' 49' ' ' LEU . 14.4 mttt -67.97 120.68 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 50' ' ' ALA . 16.2 tp -59.51 -29.1 67.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -28.07 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.8 m -102.17 31.63 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.6 m -113.92 158.04 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.5 145.17 39.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.542 ' HD3' HD21 ' A' ' 18' ' ' LEU . 32.9 Cg_endo -67.83 109.4 1.89 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.388 2.059 . . . . 0.0 112.224 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -65.73 131.53 46.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.647 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -100.26 30.1 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -31.39 72.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -122.24 30.02 6.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.647 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -101.99 123.38 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -109.07 134.97 50.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.76 31.73 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 23.5 tt0 -161.37 53.84 0.49 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 97' ' ' GLN . 58.1 Cg_endo -71.59 106.72 2.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.594 2.196 . . . . 0.0 112.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.46 110.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.72 -91.21 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.37 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.46 -33.13 14.45 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.539 2.159 . . . . 0.0 112.209 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 121.43 35.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.4 p -148.42 111.6 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.486 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -130.05 -62.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -94.88 132.25 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.73 -141.47 3.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.3 p -176.35 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -39.16 83.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.17 170.92 43.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.44 -178.97 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.64 95.84 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.81 146.46 17.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.78 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.5 Cg_exo -56.11 -45.99 34.16 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.454 2.102 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 31.8 Cg_exo -58.37 -20.28 47.46 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.282 1.988 . . . . 0.0 112.05 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.75 -91.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.88 -66.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.21 -42.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -152.44 30.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.07 53.63 4.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -106.45 97.67 7.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -128.72 178.36 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 37' ' ' ARG . 36.2 t -58.29 143.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.72 -45.66 2.53 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -70.76 153.07 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.7 mt -82.37 148.9 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.83 148.66 29.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.238 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -115.45 151.3 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.6 t -117.62 132.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.12 -178.93 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.77 -59.38 14.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.81 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.0 109.53 2.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.175 . . . . 0.0 112.236 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.08 104.33 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.452 2.101 . . . . 0.0 112.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 8.4 p90 -133.14 158.83 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -121.8 148.9 44.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.85 163.2 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.576 ' HB ' HD23 ' A' ' 23' ' ' LEU . 12.4 p -106.26 147.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.312 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.604 HG23 ' HB1' ' A' ' 50' ' ' ALA . 37.0 mt -66.34 144.1 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.511 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mmp_? -126.13 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.443 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.9 t90 -119.96 132.43 55.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 36' ' ' ILE . 21.0 mt -124.35 105.89 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.12 -167.08 25.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.857 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.66 114.96 20.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.473 0.178 . . . . 0.0 110.735 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.41 159.72 15.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.85 87.69 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.29 -51.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.57 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.27 113.51 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.722 0.296 . . . . 0.0 110.886 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.48 107.76 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.857 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.76 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG11 HD23 ' A' ' 84' ' ' LEU . 21.3 t -63.48 99.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 0.0 110.649 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 83' ' ' LYS . 16.7 mt -107.82 116.09 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.604 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.02 116.39 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' ILE . 53.8 mt -104.01 147.38 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -110.89 108.64 18.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.64 135.49 48.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -69.21 -38.28 78.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.12 118.33 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.28 98.1 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.3 123.49 47.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.01 139.03 57.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.02 -28.57 8.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.504 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 78.6 m -76.53 172.44 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -100.71 179.98 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.634 ' HB3' HD23 ' A' ' 76' ' ' LEU . 28.7 p30 -108.96 31.22 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.84 42.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 p -139.29 118.95 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.472 ' CE2' HD13 ' A' ' 49' ' ' LEU . 31.6 t80 -103.74 112.98 26.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 60.2 38.19 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.27 28.38 66.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -132.77 93.97 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -61.26 140.26 57.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 17.5 m-85 -124.9 -44.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -133.57 170.66 15.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.34 107.37 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.48 -176.83 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -70.04 170.08 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.1 mt -84.95 142.96 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm 62.43 38.14 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 1.7 mtpt -151.32 39.49 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.41 111.29 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.408 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 41.0 tp -130.1 122.67 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 63.0 m-85 -96.38 147.3 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 81' ' ' PHE . 8.5 m -155.81 165.11 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.074 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.5 mttt -68.72 122.81 19.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.533 HD23 HG11 ' A' ' 48' ' ' VAL . 27.3 tp -61.06 -36.63 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -25.52 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.58 33.9 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 54.2 m -114.55 142.54 46.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 145.17 30.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.737 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.51 110.43 2.87 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.438 2.092 . . . . 0.0 112.282 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.55 131.92 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.659 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -111.69 30.15 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -62.57 -45.61 92.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.87 24.09 12.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.659 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -102.08 123.3 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.9 m -76.33 152.02 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -97.5 38.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -138.74 93.62 10.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.7 149.7 43.71 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.527 2.151 . . . . 0.0 112.388 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.2 t -79.8 82.22 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.35 155.81 20.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.94 -31.34 19.93 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.177 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.4 p -126.07 156.38 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.71 107.48 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.546 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -154.86 81.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.63 77.94 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.55 137.88 9.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 m -133.24 128.91 36.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -65.76 -40.39 92.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.48 74.36 1.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.0 mt -93.97 -28.98 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.63 41.01 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.2 mtm -132.76 72.45 77.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 35.5 Cg_exo -58.27 -47.22 20.64 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.484 2.122 . . . . 0.0 112.406 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 48.7 Cg_exo -55.24 -22.42 32.65 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.221 1.947 . . . . 0.0 112.039 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.91 27.61 40.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.561 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -132.0 -68.02 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -165.95 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -105.28 -74.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.78 75.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt -101.16 97.06 7.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.86 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.8 t -60.41 128.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.7 -30.24 10.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.2 m -87.36 145.44 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 35' ' ' VAL . 6.8 mt -74.92 143.69 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -147.44 144.73 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.9 tt0 -118.41 144.11 46.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.84 HG21 HG21 ' A' ' 82' ' ' VAL . 27.7 t -106.78 158.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.8 tttp -97.39 37.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -178.08 5.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.66 -59.13 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 71.7 Cg_endo -76.93 109.51 2.86 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.697 2.265 . . . . 0.0 112.269 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 48.6 Cg_endo -68.56 81.69 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.422 2.081 . . . . 0.0 112.294 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.8 p90 -100.85 173.01 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 19.9 m-85 -136.52 123.4 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.31 -155.35 6.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.694 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -144.47 148.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.681 HG21 HD11 ' A' ' 39' ' ' ILE . 36.1 mt -65.08 137.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.584 ' O ' HG13 ' A' ' 20' ' ' VAL . 25.8 mmm180 -121.61 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.456 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.7 t90 -127.92 134.5 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.681 HD11 HG21 ' A' ' 36' ' ' ILE . 12.4 mt -125.56 105.96 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.531 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.52 -168.01 28.05 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.744 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -129.4 115.34 18.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.733 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.38 159.66 15.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.396 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.1 87.46 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.587 2.192 . . . . 0.0 112.295 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.71 -50.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.861 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 112.02 18.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.655 0.264 . . . . 0.0 110.798 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.48 107.76 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.428 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.861 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.6 pt-20 -166.95 121.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.748 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.53 100.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 83' ' ' LYS . 6.8 mt -108.61 117.0 33.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.98 114.91 27.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 111.86 4.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 24' ' ' ALA . 57.3 mt -100.89 130.11 46.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -97.51 111.37 23.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 32' ' ' PHE . 9.3 mt -71.83 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.68 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -85.37 136.87 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.2 69.87 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.92 120.58 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.76 109.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.36 -27.99 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.7 m -87.05 -179.39 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.2 p -101.04 -176.67 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.634 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.4 p30 -111.58 31.4 6.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.08 33.06 3.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -132.51 119.15 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.42 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 24.4 t80 -112.48 107.13 15.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 60.73 38.64 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.55 28.47 71.01 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -128.21 93.95 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -60.63 131.92 52.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 21.1 m-85 -120.9 -42.42 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -149.8 163.43 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 73' ' ' THR . 9.7 t -100.5 120.3 39.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -143.56 170.46 15.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -61.07 152.95 26.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 63' ' ' ASP . 2.1 mt -67.92 142.4 56.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt 61.8 40.12 13.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.672 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 15.1 mtpt -151.68 39.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 107.11 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 tp -123.83 116.79 23.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 66' ' ' PHE . 91.0 m-85 -90.8 141.74 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.84 HG21 HG21 ' A' ' 26' ' ' VAL . 6.7 m -152.99 166.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.453 ' HA ' HD23 ' A' ' 49' ' ' LEU . 9.0 mttt -66.76 122.4 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 50' ' ' ALA . 21.3 tp -59.39 -29.63 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -64.01 -28.05 69.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 m -101.58 33.8 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 52.7 m -109.87 163.63 13.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.01 145.13 37.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.51 108.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.435 2.09 . . . . 0.0 112.203 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.31 132.12 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.83 26.59 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -65.15 -29.64 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -108.98 25.85 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.43 121.95 29.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 m -74.52 107.99 7.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.75 31.7 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -136.1 73.49 58.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.3 179.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.518 2.146 . . . . 0.0 112.334 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m -155.3 146.16 22.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.08 -73.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 110.25 2.53 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.58 2.187 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.1 t -68.15 147.31 52.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -128.1 114.85 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.338 -1.256 . . . . 0.0 112.568 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t 60.9 158.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -67.35 174.19 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.8 27.76 17.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.531 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -131.47 70.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.799 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t 58.55 22.56 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.28 26.41 36.4 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.709 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -145.78 153.76 41.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.2 30.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -170.57 65.98 0.48 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 32.2 Cg_exo -57.09 -47.24 23.75 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.559 2.173 . . . . 0.0 112.62 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 11' ' ' PRO . 98.1 Cg_endo -79.93 -35.37 0.73 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.359 2.039 . . . . 0.0 112.332 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.93 43.24 2.47 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -110.22 171.05 7.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -70.88 90.84 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.3 m80 67.05 -70.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.04 61.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 ' O ' ' A' ' 87' ' ' CYS . 82.7 mt -105.5 103.57 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.621 HG23 HD12 ' A' ' 39' ' ' ILE . 21.8 t -59.76 130.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.67 -28.05 15.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.4 m -90.44 157.71 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.628 HD23 ' HB ' ' A' ' 35' ' ' VAL . 6.1 mt -89.71 150.85 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 166.27 29.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -130.91 148.06 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.423 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 21.3 t -111.19 149.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.166 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -90.5 91.35 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -173.51 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 1.7 m-80 -71.15 -58.8 3.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 29' ' ' ASN . 92.2 Cg_endo -78.88 111.28 2.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.6 87.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.475 2.117 . . . . 0.0 112.219 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 54' ' ' LEU . 17.3 p90 -109.36 140.81 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.48 149.45 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.58 -177.51 34.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.628 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -127.67 145.65 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.492 HG21 HD11 ' A' ' 39' ' ' ILE . 37.0 mt -64.95 140.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' HG13 ' A' ' 20' ' ' VAL . 22.9 mmm180 -125.31 -61.49 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.463 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.6 t90 -127.39 132.55 50.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.621 HD12 HG23 ' A' ' 20' ' ' VAL . 2.3 mt -123.96 106.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.594 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.78 30.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.755 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -126.51 114.91 23.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.674 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.52 159.55 16.28 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.466 2.111 . . . . 0.0 112.275 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.72 87.45 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.544 2.162 . . . . 0.0 112.269 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.85 -51.3 0.41 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.29 113.14 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.36 108.02 5.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.72 120.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' A' ' 84' ' ' LEU . 20.5 t -64.04 99.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.732 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 83' ' ' LYS . 33.5 mt -106.19 113.95 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.751 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.99 114.92 27.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.84 114.47 6.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.418 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.2 mt -103.58 131.44 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -100.01 105.96 17.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 32' ' ' PHE . 12.0 mt -66.01 129.96 41.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.65 -31.15 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.34 122.72 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.11 91.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 22.8 m -101.71 141.47 34.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.75 133.32 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 28.46 5.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.2 m -134.06 143.31 47.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 p -80.02 -176.31 5.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -110.78 31.21 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.79 50.44 1.09 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.9 133.33 23.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 31.5 t80 -125.79 114.45 18.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG3' ' CD2' ' A' ' 66' ' ' PHE . 21.4 mtm180 60.34 36.25 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.06 28.55 71.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.7 m -126.39 96.47 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -60.67 120.69 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.424 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 15.9 m-85 -107.41 -42.29 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 42.0 p90 -147.02 165.92 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 t -105.06 118.43 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.52 -176.8 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -70.17 167.69 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.44 137.64 36.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 61.97 39.2 13.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 2.9 mtpt -147.37 39.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.68 109.31 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.2 tp -127.49 105.75 8.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -80.01 141.43 35.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.79 166.99 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HA ' HD23 ' A' ' 49' ' ' LEU . 13.6 mttt -69.7 122.28 18.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.52 ' CD2' HG11 ' A' ' 48' ' ' VAL . 13.0 tp -59.02 -33.45 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 m -104.09 31.71 4.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.469 ' O ' HD11 ' A' ' 18' ' ' LEU . 34.1 m -114.71 128.07 56.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.73 137.68 19.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.35 132.8 52.77 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.435 2.09 . . . . 0.0 112.264 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.33 104.15 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.01 26.54 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -27.91 68.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -115.17 26.8 9.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.29 129.49 34.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.8 m -103.52 100.9 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 tp -161.53 -67.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -155.17 147.3 17.4 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 137.69 67.93 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.536 2.158 . . . . 0.0 112.309 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.91 165.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.38 -132.78 0.06 OUTLIER Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.396 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.01 -26.08 13.76 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.487 2.125 . . . . 0.0 112.437 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t 61.53 113.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.5 t -79.85 -46.43 16.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.463 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -130.94 85.23 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 126.88 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.03 -45.18 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -99.02 31.66 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -95.39 128.6 42.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.97 -157.39 1.81 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt 66.27 31.75 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.324 . . . . 0.0 110.798 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.13 75.06 0.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.1 mtm -145.63 79.74 11.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 32.0 Cg_exo -57.52 -46.43 27.45 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.596 2.197 . . . . 0.0 112.534 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 11' ' ' PRO . 93.8 Cg_endo -81.35 -28.0 2.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.448 2.099 . . . . 0.0 112.399 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.93 28.63 4.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -118.48 -177.39 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -60.16 -43.95 95.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -129.82 -74.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.25 74.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt -102.55 102.31 12.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 36' ' ' ILE . 8.2 pt-20 -136.28 175.2 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.9 t -59.87 138.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.41 -28.72 12.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -90.96 152.59 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.2 mt -85.49 150.15 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.66 155.66 35.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -120.07 151.48 38.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG21 HG21 ' A' ' 82' ' ' VAL . 20.6 t -112.61 159.47 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.196 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.7 tppp? -93.59 46.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.27 166.78 14.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 5.2 m-80 -63.7 -50.23 72.71 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 87.4 Cg_endo -81.82 111.71 2.28 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.496 2.131 . . . . 0.0 112.248 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.37 115.76 2.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.399 2.066 . . . . 0.0 112.303 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 54' ' ' LEU . 8.4 p90 -142.03 157.95 44.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 40.6 m-85 -129.35 122.92 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.52 159.77 27.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.439 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.674 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -99.4 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 39' ' ' ILE . 43.2 mt -64.94 136.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.6 mmm180 -119.4 -62.14 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.7 t90 -127.67 133.88 49.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.845 HD11 HG21 ' A' ' 36' ' ' ILE . 30.5 mt -126.24 105.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.581 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -168.95 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.795 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -126.83 114.47 22.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.542 0.21 . . . . 0.0 110.715 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.64 159.66 16.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.472 2.114 . . . . 0.0 112.274 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.84 88.01 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.91 -51.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.535 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.844 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 111.96 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.655 0.265 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.03 107.83 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.844 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.86 120.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.803 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.51 100.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.715 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.545 HD13 ' CE2' ' A' ' 66' ' ' PHE . 24.0 mt -106.8 113.97 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.732 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.62 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.28 103.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.11 130.59 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.38 109.88 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 32' ' ' PHE . 7.6 mt -69.62 141.19 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.38 -31.25 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.32 137.05 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -76.86 93.64 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.68 124.08 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.16 124.57 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.44 -29.55 2.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.0 m -91.19 176.33 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.355 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 p -106.19 -170.26 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.688 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.0 p30 -105.56 32.29 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.76 33.62 3.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -128.86 128.13 43.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.545 ' CE2' HD13 ' A' ' 49' ' ' LEU . 22.2 t80 -111.69 111.68 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 60.35 35.63 20.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.86 28.98 55.76 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.7 m -132.35 104.96 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -64.72 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 8.0 m-85 -112.27 -42.83 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 35.2 p90 -140.45 -178.95 5.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 109.62 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.85 172.43 12.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.7 -177.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 63' ' ' ASP . 18.9 mt -88.97 137.95 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp 62.74 39.68 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -144.36 38.4 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.07 99.98 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -112.51 108.12 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 82' ' ' VAL . 97.5 m-85 -84.28 137.75 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.566 HG21 HG21 ' A' ' 26' ' ' VAL . 17.1 m -156.59 167.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.498 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.0 mttt -65.06 123.14 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 50' ' ' ALA . 22.2 tp -59.09 -30.49 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -63.91 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 m -97.59 32.55 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.94 152.59 33.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -132.64 145.09 55.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 128.23 28.87 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.53 2.154 . . . . 0.0 112.271 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.95 108.06 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.669 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -99.01 31.28 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.86 -35.28 80.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -114.52 28.14 8.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.669 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -102.05 122.71 44.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 m -96.84 112.99 24.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 mt -120.64 -42.97 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 179.95 -61.26 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.86 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 97' ' ' GLN . 60.5 Cg_endo -72.75 146.8 43.65 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.477 2.118 . . . . 0.0 112.341 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.4 p -152.57 153.94 34.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.9 76.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.54 151.73 17.92 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.519 2.146 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.1 m -119.97 155.45 32.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 m -149.26 34.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.483 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -82.54 -34.34 27.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -164.54 86.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.53 166.18 37.76 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.15 152.08 49.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.313 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -151.48 -48.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.25 -127.08 3.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt 65.56 31.12 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.75 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.29 106.84 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.0 ttm -110.09 136.06 20.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.789 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 46.9 Cg_exo -53.01 -45.39 41.42 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.284 1.989 . . . . 0.0 112.497 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 22.2 Cg_exo -64.67 -21.47 65.18 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.359 2.039 . . . . 0.0 111.91 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.35 169.8 12.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 60.93 -178.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.752 0.311 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.54 -64.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.53 -50.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.51 71.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt -93.05 98.43 11.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' ILE . 6.2 pt-20 -138.55 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.8 t -58.89 130.8 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.09 -29.04 13.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.709 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.0 mt -87.82 150.85 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.07 165.53 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -126.12 160.95 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.53 152.06 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -86.93 119.0 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -170.02 -174.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.35 -58.02 4.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.51 109.77 2.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.504 2.136 . . . . 0.0 112.31 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.59 95.26 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.45 2.1 . . . . 0.0 112.241 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -116.41 173.01 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -136.66 127.32 27.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.25 152.49 21.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.709 ' HB ' HD23 ' A' ' 23' ' ' LEU . 12.7 p -99.8 145.91 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.662 HG21 HD11 ' A' ' 39' ' ' ILE . 42.9 mt -65.45 135.57 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.544 ' O ' HG13 ' A' ' 20' ' ' VAL . 22.5 mmm180 -120.47 -63.02 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.003 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.447 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 60.1 t90 -123.83 134.24 53.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.662 HD11 HG21 ' A' ' 36' ' ' ILE . 9.7 mt -125.43 105.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.27 -170.25 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.761 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -128.92 115.45 19.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.512 0.196 . . . . 0.0 110.743 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.33 159.74 15.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.517 2.145 . . . . 0.0 112.271 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.28 87.01 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.621 2.214 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.16 -50.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.628 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.834 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.32 112.73 18.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.821 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -73.24 107.88 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.421 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.834 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.3 pt-20 -166.75 121.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.811 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 84' ' ' LEU . 26.1 t -65.64 100.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 66' ' ' PHE . 17.8 mt -106.99 114.03 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.93 114.93 27.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.91 121.75 20.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.414 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.497 HD12 ' CG2' ' A' ' 82' ' ' VAL . 62.2 mt -112.62 126.79 55.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -95.9 111.18 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.26 128.01 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.96 -31.66 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.83 142.27 27.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.73 99.59 10.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.15 126.0 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.72 127.0 31.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.86 28.39 5.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.7 m -122.09 -173.91 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.752 0.31 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.9 p -111.14 -177.99 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -122.17 31.75 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.94 34.88 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.405 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 70' ' ' ARG . 41.4 p -138.22 134.44 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE2' HD13 ' A' ' 49' ' ' LEU . 11.4 t80 -113.47 107.2 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 58.48 42.7 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.21 28.74 59.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -130.07 94.05 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.612 ' HA ' HG22 ' A' ' 65' ' ' THR . 18.3 ttm180 -64.88 124.95 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.426 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 18.6 m-85 -113.27 -37.38 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.11 168.97 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 m -109.2 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.9 m -131.1 -176.83 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.614 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -61.14 164.44 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.3 137.47 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt 60.88 38.42 17.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 12.5 mtpt -148.11 40.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.43 111.1 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.6 tp -125.53 122.25 36.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 82' ' ' VAL . 85.8 m-85 -93.11 145.06 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.497 ' CG2' HD12 ' A' ' 52' ' ' LEU . 15.6 m -156.64 166.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.7 mttt -68.0 122.81 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 50' ' ' ALA . 22.3 tp -58.4 -35.49 72.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -63.93 -26.0 68.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -101.14 33.83 2.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.7 m -113.96 151.12 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -124.82 130.25 24.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.97 128.05 28.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.119 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -103.06 102.58 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.09 27.1 4.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -65.01 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -109.65 27.04 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.97 126.23 37.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 p -73.96 124.32 25.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mt -159.38 88.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 59.96 98.54 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.92 -168.26 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.468 2.112 . . . . 0.0 112.374 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.83 165.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -112.26 -164.88 17.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.32 136.15 54.82 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.631 2.221 . . . . 0.0 112.287 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -142.49 31.66 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -176.61 102.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.505 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 62.29 117.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.14 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.96 179.44 30.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -76.08 -44.72 37.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t 60.3 168.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.95 158.99 19.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 mt -102.18 -31.2 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.48 120.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mtt -124.05 80.03 58.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.792 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.1 Cg_exo -58.48 -47.24 20.03 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.531 2.154 . . . . 0.0 112.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 50.4 Cg_exo -54.98 -22.6 31.3 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.273 1.982 . . . . 0.0 112.07 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.76 116.52 4.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 63.72 -79.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -171.27 -50.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -139.76 -50.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.22 68.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.561 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -86.64 97.0 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 175.17 9.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.2 t -58.06 133.36 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.32 13.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' VAL . 58.0 m -82.99 154.87 24.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 35' ' ' VAL . 4.2 mt -90.69 151.0 21.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.68 159.85 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -116.63 165.33 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.29 136.74 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.94 87.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.95 162.62 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.537 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 8.3 m120 -59.18 -52.75 72.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 73.4 Cg_endo -74.92 111.41 3.32 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.278 1.986 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 91.41 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.589 2.192 . . . . 0.0 112.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.704 ' HB2' HD22 ' A' ' 54' ' ' LEU . 11.3 p90 -119.8 140.72 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -114.27 144.01 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.93 175.99 34.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.599 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.3 p -119.68 145.95 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.796 0.332 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.792 HG21 HD11 ' A' ' 39' ' ' ILE . 31.8 mt -66.27 135.43 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.61 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mmp_? -117.94 -66.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.6 t90 -121.21 131.11 54.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.073 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.792 HD11 HG21 ' A' ' 36' ' ' ILE . 33.1 mt -122.36 105.97 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.41 -167.72 26.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.702 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -129.16 115.52 18.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.543 0.211 . . . . 0.0 110.725 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.42 159.53 15.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.389 2.06 . . . . 0.0 112.287 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.05 87.38 0.87 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.519 2.146 . . . . 0.0 112.287 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.832 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.25 113.55 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.33 107.78 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.832 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.0 pt-20 -166.77 121.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.524 HG11 HD23 ' A' ' 84' ' ' LEU . 21.3 t -65.9 100.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.1 mt -108.98 117.09 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.644 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.3 114.97 27.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 112.31 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.555 HD12 ' CG2' ' A' ' 82' ' ' VAL . 25.7 mt -103.66 146.65 28.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.07 107.91 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 32' ' ' PHE . 11.6 mt -66.14 137.06 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.95 -32.05 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -92.72 129.27 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.41 103.69 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.44 133.68 51.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.83 135.04 50.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.7 28.63 6.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.549 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.3 160.72 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -96.98 -178.02 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.17 34.16 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -141.62 133.21 26.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 49' ' ' LEU . 23.1 t80 -119.86 111.7 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 60.39 36.3 20.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.23 63.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -132.05 94.15 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -63.57 126.86 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.424 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 22.6 m-85 -112.14 -40.39 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -139.14 169.2 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' THR . 10.4 t -106.35 113.95 27.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.52 -176.86 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -67.12 -178.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.85 135.58 35.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 61.03 38.21 17.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 6.1 mtpt -147.14 41.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.75 109.52 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.2 tp -123.99 121.67 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 79.1 m-85 -95.01 137.59 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.555 ' CG2' HD12 ' A' ' 52' ' ' LEU . 10.6 m -146.6 165.36 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -71.0 123.76 22.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.524 HD23 HG11 ' A' ' 48' ' ' VAL . 28.0 tp -58.44 -38.02 76.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -24.98 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -103.67 31.49 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.16 154.94 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 130.55 24.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 134.35 59.48 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.412 2.075 . . . . 0.0 112.265 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -101.89 116.39 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.92 28.97 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -29.26 70.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 6.7 m-85 -108.34 28.15 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.169 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.66 125.88 42.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.859 0.361 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.5 m -81.2 125.19 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.8 mp 60.03 85.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -75.83 146.06 78.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.08 131.88 45.06 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.564 2.176 . . . . 0.0 112.28 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.5 p -176.73 38.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 110.9 -149.61 17.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.535 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.97 89.45 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.591 2.194 . . . . 0.0 112.308 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 m -80.31 -57.35 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 p -101.23 171.45 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.451 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -95.36 109.98 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.0 119.75 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.11 66.18 0.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.96 98.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 m -152.2 155.99 38.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.3 -159.54 22.2 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -101.44 -79.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.347 . . . . 0.0 110.994 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.16 55.72 1.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -143.75 80.66 12.57 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 53.1 Cg_exo -53.98 -45.75 38.74 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.56 2.173 . . . . 0.0 112.593 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 90.1 Cg_endo -81.76 -27.44 2.59 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.344 2.029 . . . . 0.0 112.409 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.81 -29.08 7.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.436 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -101.4 -58.14 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -170.36 -51.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -161.62 -45.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.05 37.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' A' ' 89' ' ' PRO . 42.6 mt -76.95 101.9 6.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 pt-20 -144.74 179.18 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.47 132.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.52 -34.22 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -92.59 139.78 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.6 mt -68.05 143.97 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -143.71 147.86 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -112.14 147.57 35.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.663 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.9 t -107.06 158.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 tttp -100.83 75.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.32 -169.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.04 -58.55 1.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.781 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.408 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.4 Cg_endo -79.05 111.59 2.95 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 96.84 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.413 2.076 . . . . 0.0 112.231 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 4.4 p90 -119.64 151.26 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.45 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 10.8 m-85 -116.97 156.75 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.79 -178.4 43.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.443 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.415 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.1 p -124.56 143.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.599 HG21 HD11 ' A' ' 39' ' ' ILE . 37.4 mt -64.92 140.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -126.38 -63.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.444 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 52.9 t90 -122.26 132.89 54.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.599 HD11 HG21 ' A' ' 36' ' ' ILE . 20.5 mt -124.65 105.91 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.573 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.79 -169.47 28.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.801 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.05 114.9 21.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.576 0.226 . . . . 0.0 110.759 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -57.54 159.8 15.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.471 2.114 . . . . 0.0 112.233 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.9 87.89 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.505 2.136 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.99 -51.1 0.43 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.865 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.29 112.62 18.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.716 0.293 . . . . 0.0 110.811 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -73.27 107.83 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.973 0.416 . . . . 0.0 110.437 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.865 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.77 121.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 ' CD2' ' A' ' 84' ' ' LEU . 20.3 t -63.18 100.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.843 0.354 . . . . 0.0 110.673 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.644 HD13 ' CE2' ' A' ' 66' ' ' PHE . 17.1 mt -106.43 114.45 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.99 114.9 27.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 116.78 8.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.72 135.21 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.86 108.58 19.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.99 132.56 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.09 -32.95 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.39 136.6 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -73.99 109.57 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.3 m -104.69 132.28 51.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.08 123.94 22.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.41 28.66 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 82.0 m -127.25 175.43 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 16.5 p -107.82 173.12 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.698 ' HB3' HD23 ' A' ' 76' ' ' LEU . 5.3 p30 -101.73 31.44 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.54 42.88 1.2 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.679 HG22 ' CA ' ' A' ' 70' ' ' ARG . 7.4 p -139.88 121.39 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.644 ' CE2' HD13 ' A' ' 49' ' ' LEU . 28.5 t80 -104.06 119.95 40.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? 60.08 31.78 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.64 27.3 51.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 m -134.04 112.16 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.679 ' CA ' HG22 ' A' ' 65' ' ' THR . 7.7 ttm180 -75.07 127.96 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.41 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 16.6 m-85 -111.73 -36.42 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -139.51 176.45 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 p -112.24 114.1 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.46 176.4 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.96 179.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.698 HD23 ' HB3' ' A' ' 63' ' ' ASP . 9.5 mt -93.34 141.36 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp 61.52 37.31 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 5.8 mtpt -147.06 38.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -134.27 104.23 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 112.73 16.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 58.5 m-85 -83.93 151.57 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.663 HG21 ' CG2' ' A' ' 26' ' ' VAL . 15.8 m -155.88 166.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' A' ' 49' ' ' LEU . 28.1 mttp -68.32 118.52 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.545 ' CD2' HG11 ' A' ' 48' ' ' VAL . 9.3 tp -58.96 -33.56 70.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -64.06 -26.39 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 m -103.12 31.01 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 m -114.48 138.87 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 145.08 32.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.787 ' HA ' HD21 ' A' ' 18' ' ' LEU . 50.7 Cg_exo -53.74 125.75 19.64 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.471 2.114 . . . . 0.0 112.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 8.9 t0 -101.99 130.49 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.665 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.1 t -88.29 -75.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.008 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.45 ' NH1' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 52.32 -84.8 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' SER . 41.3 m-85 -87.4 54.33 3.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.617 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -90.93 133.13 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -90.93 114.02 26.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.9 tt -108.18 125.74 51.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -109.19 134.78 20.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.55 -61.92 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.481 2.121 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 t 63.09 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 115.65 -98.64 0.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.57 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.56 130.78 16.46 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.564 2.176 . . . . 0.0 112.354 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -176.57 -58.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.8 t -109.16 -69.47 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.465 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 87' ' ' CYS . 7.6 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -141.56 174.63 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.7 t -62.51 133.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.4 -29.56 11.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.52 150.0 24.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HB ' ' A' ' 35' ' ' VAL . 11.1 mt -82.75 143.82 30.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.59 169.44 17.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -132.65 145.47 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.3 t -109.75 139.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 94.06 9.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -141.99 -177.93 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.13 -59.58 13.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.16 109.57 2.85 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.28 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.99 104.56 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.325 2.017 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -128.73 169.34 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 92' ' ' ARG . 18.4 m-85 -132.29 138.25 47.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 160.22 30.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.576 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.4 p -102.14 148.33 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.627 HG21 HD11 ' A' ' 39' ' ' ILE . 35.2 mt -67.03 146.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.9 mmm180 -128.93 -64.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.457 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.4 t90 -122.82 134.74 54.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 36' ' ' ILE . 34.7 mt -126.76 105.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.54 -172.07 32.5 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.83 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -126.08 114.87 24.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.522 0.201 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.35 159.77 15.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.479 2.12 . . . . 0.0 112.341 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.14 87.6 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.524 2.149 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.36 -50.49 0.43 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.587 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.835 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.36 112.68 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.23 107.81 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.556 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.835 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.65 121.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 84' ' ' LEU . 18.8 t -64.6 101.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.841 0.353 . . . . 0.0 110.559 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.5 114.03 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.11 114.97 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.99 113.75 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -104.4 130.54 52.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 108.57 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.77 133.83 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.68 -34.38 75.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.21 136.55 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.13 101.07 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.75 135.39 47.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.07 119.3 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.1 -28.35 3.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 m -79.19 175.49 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -110.1 -177.78 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.539 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.2 p30 -98.88 31.23 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 79' ' ' ALA . . . 92.82 40.61 4.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.466 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 70' ' ' ARG . 18.0 p -130.87 119.04 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -111.35 120.56 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 59.85 31.03 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.71 27.43 67.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -133.97 94.38 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HB2' HG22 ' A' ' 65' ' ' THR . 0.8 OUTLIER -63.76 125.23 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 47.4 m-85 -100.12 -36.41 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 22.6 p90 -139.42 177.77 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.798 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 m -111.9 114.23 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.52 178.61 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -69.95 173.86 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.9 mt -84.93 138.48 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 60.97 40.01 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 11.2 mtpt -149.17 37.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HB3' ' H ' ' A' ' 64' ' ' GLY . . . -144.48 105.1 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.58 119.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -85.76 139.16 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.537 HG21 ' CG2' ' A' ' 26' ' ' VAL . 17.8 m -147.73 165.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -69.26 120.25 14.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 48' ' ' VAL . 11.2 tp -58.46 -34.73 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -64.09 -26.12 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 m -102.94 31.27 4.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.508 ' HB2' HD13 ' A' ' 18' ' ' LEU . 27.5 m -108.5 159.66 16.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -132.2 135.29 26.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.3 130.63 40.76 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.423 2.082 . . . . 0.0 112.253 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -103.06 107.19 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 30.67 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 24.3 mtp85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 36' ' ' ILE . 5.3 pt-20 -138.3 179.57 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 37' ' ' ARG . 29.5 t -61.22 135.97 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.43 6.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.63 149.44 25.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.486 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.6 mt -84.65 137.29 33.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.51 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.52 143.64 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 27' ' ' LYS . 20.6 t -98.32 158.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG12 ' A' ' 26' ' ' VAL . 26.1 mmtt -94.98 48.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.54 175.38 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.419 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 2.1 m-80 -59.82 -58.0 22.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 74.0 Cg_endo -75.6 109.77 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.586 2.191 . . . . 0.0 112.367 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 46.1 Cg_endo -68.28 83.28 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.423 2.082 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -101.04 173.05 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -133.87 128.12 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.65 175.52 26.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.6 p -120.12 142.34 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 39' ' ' ILE . 35.8 mt -63.77 136.75 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 20' ' ' VAL . 24.1 mmm180 -120.82 -63.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.45 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.5 t90 -124.37 133.02 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 36' ' ' ILE . 39.0 mt -124.6 105.98 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.604 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.24 30.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.837 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -128.09 115.07 20.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.521 0.201 . . . . 0.0 110.767 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.43 159.53 16.05 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.507 2.138 . . . . 0.0 112.266 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.1 87.3 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.558 2.172 . . . . 0.0 112.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.05 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.821 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.24 112.67 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.674 0.273 . . . . 0.0 110.848 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -73.13 107.86 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.821 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.86 121.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.795 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.68 99.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.82 0.343 . . . . 0.0 110.591 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.4 mt -106.84 114.59 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.02 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.54 106.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -94.47 128.76 41.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.01 111.6 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.65 138.5 50.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.28 -31.67 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.79 127.32 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.01 101.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.47 121.1 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 123.39 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.34 2.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -90.77 174.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -103.0 -170.27 1.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.548 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.6 p30 -104.9 31.33 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.32 46.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.9 p -135.9 122.51 20.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' A' ' 49' ' ' LEU . 9.4 t80 -109.69 117.43 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 60.3 35.97 20.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.88 65.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -133.52 107.28 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -71.82 122.35 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 20.4 m-85 -103.2 -41.15 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 48.4 p90 -135.53 172.33 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -108.78 114.21 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.59 -176.79 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -76.26 165.15 25.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.8 mt -77.3 141.95 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 62.6 39.6 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 10.2 mtpt -150.58 40.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.46 109.4 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 tp -124.33 108.25 12.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -81.41 133.67 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.416 HG21 HG21 ' A' ' 26' ' ' VAL . 17.1 m -148.9 167.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -66.01 123.04 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 50' ' ' ALA . 18.4 tp -58.89 -35.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -64.08 -25.62 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 m -97.52 34.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.0 m -115.99 160.16 20.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.2 144.25 50.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.47 122.42 11.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.487 2.124 . . . . 0.0 112.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.06 101.97 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.66 30.92 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.77 0.319 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -137.07 -179.03 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 37' ' ' ARG . 38.4 t -58.48 131.55 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.12 -30.74 8.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -81.19 137.53 35.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.656 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.9 mt -72.38 151.02 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.31 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.29 157.13 45.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 82' ' ' VAL . 21.6 t -120.29 148.14 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -90.82 83.93 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -131.36 -178.15 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.75 -58.83 13.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.91 109.61 2.88 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.64 2.226 . . . . 0.0 112.242 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.86 90.55 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.381 2.054 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.7 p90 -112.45 172.99 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -135.0 137.17 42.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.75 172.94 34.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.656 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -115.98 146.75 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.6 HG23 ' HB1' ' A' ' 50' ' ' ALA . 36.2 mt -63.43 147.8 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.589 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mmp_? -130.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 46.0 t90 -121.66 130.08 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.586 HD11 HG21 ' A' ' 36' ' ' ILE . 22.0 mt -120.91 105.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.646 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.25 -172.33 32.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.713 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -125.84 115.49 24.47 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.523 0.201 . . . . 0.0 110.702 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -57.45 159.59 15.94 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.482 2.122 . . . . 0.0 112.293 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.82 87.44 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.588 2.192 . . . . 0.0 112.309 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.3 -50.63 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.575 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.856 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.35 113.37 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.58 108.01 6.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.886 0.374 . . . . 0.0 110.477 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.856 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.63 121.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.547 HG11 HD23 ' A' ' 84' ' ' LEU . 25.0 t -63.77 100.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 66' ' ' PHE . 27.2 mt -106.52 114.8 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.93 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.39 104.78 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.596 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.49 146.16 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.4 104.86 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 32' ' ' PHE . 57.7 mt -66.13 140.62 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.9 -31.62 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.41 125.26 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.57 99.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 t -96.13 124.96 40.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.18 112.33 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.35 2.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.2 m -76.26 178.23 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -109.43 -178.3 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -106.6 35.58 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.13 44.55 2.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -135.17 129.4 33.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.518 ' CE2' HD13 ' A' ' 49' ' ' LEU . 14.0 t80 -122.63 122.29 38.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 60.39 31.26 20.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.51 63.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -133.5 112.77 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -65.77 123.73 20.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 7.4 m-85 -107.86 -44.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -143.37 162.31 36.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -99.73 116.57 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.75 179.47 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -69.09 156.71 38.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.43 139.4 51.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp 61.24 39.25 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.621 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.0 mtpt -149.1 40.52 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.74 109.27 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -123.89 106.3 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 69.9 m-85 -77.28 142.22 39.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 26' ' ' VAL . 16.4 m -155.98 166.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.2 mttt -68.71 123.55 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.547 HD23 HG11 ' A' ' 48' ' ' VAL . 27.6 tp -59.74 -33.05 71.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.91 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -99.87 31.63 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 83.4 m -115.97 135.53 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.08 145.06 33.29 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.43 136.38 56.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.295 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -99.54 119.93 38.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.7 30.66 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 87' ' ' CYS . 15.5 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.842 0.353 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 pt-20 -135.76 -178.42 5.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.3 t -62.74 133.31 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.98 -39.93 2.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.556 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -78.84 147.99 32.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 10.4 mt -83.69 144.83 29.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 87' ' ' CYS . . . -144.45 137.54 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.07 130.14 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.771 HG21 HG21 ' A' ' 82' ' ' VAL . 21.2 t -95.67 143.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -85.32 57.6 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.2 -177.48 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.87 -59.2 13.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.1 109.57 2.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.626 2.217 . . . . 0.0 112.277 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.28 91.31 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.273 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -117.17 172.53 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 92' ' ' ARG . 11.7 m-85 -132.1 119.42 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -136.47 169.31 23.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -112.57 143.86 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.739 HG21 HD11 ' A' ' 39' ' ' ILE . 41.3 mt -65.95 132.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.552 ' O ' HG13 ' A' ' 20' ' ' VAL . 18.7 mmm180 -116.27 -62.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.495 ' CE2' ' CE1' ' A' ' 71' ' ' TYR . 54.0 t90 -124.96 133.14 53.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.739 HD11 HG21 ' A' ' 36' ' ' ILE . 20.6 mt -123.88 106.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.716 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.23 -168.01 27.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.785 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.52 114.99 21.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.593 0.235 . . . . 0.0 110.681 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.5 159.57 16.17 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.402 2.068 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.73 87.5 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.6 2.2 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.07 0.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.579 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.861 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.25 112.32 18.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.656 0.265 . . . . 0.0 110.767 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.29 107.92 5.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.861 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.75 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.748 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.481 HG11 HD23 ' A' ' 84' ' ' LEU . 20.2 t -64.46 97.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.73 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 66' ' ' PHE . 11.5 mt -106.67 115.84 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.681 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.01 114.98 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.85 107.79 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.47 132.92 40.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -101.51 105.33 16.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.98 134.35 52.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.31 -30.79 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.7 150.16 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.64 107.98 18.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 m -108.17 141.46 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 113.26 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.45 -28.31 3.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.18 162.13 29.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.93 -176.85 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.623 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.4 p30 -103.1 34.28 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 41.67 3.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.545 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 p -143.97 120.11 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 49' ' ' LEU . 7.3 t80 -92.19 98.85 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 59.73 29.23 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.39 -24.81 27.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 m -77.44 94.52 4.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -69.75 128.43 36.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CE1' ' CE2' ' A' ' 38' ' ' TRP . 60.9 m-85 -115.54 -42.18 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 11.9 p90 -138.99 -179.38 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.93 105.2 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 m -127.73 172.72 10.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.77 177.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 63' ' ' ASP . 9.3 mt -86.93 137.99 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 61.28 40.04 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.4 mtpt -147.14 36.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.62 99.28 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tp -113.01 124.79 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m-85 -97.04 132.69 42.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.771 HG21 HG21 ' A' ' 26' ' ' VAL . 28.6 m -146.78 166.99 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.3 mttt -66.37 124.59 23.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.481 HD23 HG11 ' A' ' 48' ' ' VAL . 45.3 tp -59.85 -30.62 69.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.961 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -97.23 31.19 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.453 ' HB2' HD13 ' A' ' 18' ' ' LEU . 91.7 m -116.09 152.42 33.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.46 145.05 55.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.28 116.87 3.24 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 1.9 t70 -102.99 110.83 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.21 27.41 9.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.962 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.415 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.816 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 24' ' ' ALA . 21.8 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -145.39 178.65 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 37' ' ' ARG . 25.1 t -57.4 135.51 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.06 -39.93 2.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.5 m -75.13 152.12 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 ' HB ' ' A' ' 35' ' ' VAL . 8.6 mt -84.62 150.95 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.461 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . . . -151.57 164.59 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -132.26 143.45 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 82' ' ' VAL . 21.5 t -107.69 148.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.68 79.95 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.42 -177.91 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.67 -59.16 13.45 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 72.1 Cg_endo -77.0 109.64 2.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.297 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.7 Cg_endo -69.62 87.14 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.442 2.095 . . . . 0.0 112.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -107.87 169.82 8.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.39 124.75 32.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.44 171.79 25.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.765 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.6 p -118.31 146.21 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.762 HG21 HD11 ' A' ' 39' ' ' ILE . 43.4 mt -66.29 135.05 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.646 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -118.77 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.972 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.455 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.2 t90 -123.28 132.63 54.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 36' ' ' ILE . 22.0 mt -125.0 105.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.578 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -169.87 28.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.794 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -127.29 114.83 21.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.53 0.205 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.47 159.63 15.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.472 2.115 . . . . 0.0 112.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.88 87.63 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.21 -50.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.18 112.3 18.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.35 107.91 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.979 0.419 . . . . 0.0 110.536 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.84 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.74 120.95 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.486 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -63.61 100.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 110.715 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.609 HD13 ' CE2' ' A' ' 66' ' ' PHE . 22.6 mt -106.61 114.05 27.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.755 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.0 114.96 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.038 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.45 6.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.6 138.23 41.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -105.08 108.04 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.08 137.63 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.02 -31.63 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -90.93 124.51 35.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -62.99 100.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.94 123.9 37.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 110.02 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.57 -29.1 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.552 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.0 m -71.55 175.76 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 3.4 p -103.74 176.99 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.621 ' HB3' HD23 ' A' ' 76' ' ' LEU . 4.6 p-10 -106.73 31.59 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.06 41.19 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.591 HG22 ' HB2' ' A' ' 70' ' ' ARG . 40.9 p -143.72 126.67 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.609 ' CE2' HD13 ' A' ' 49' ' ' LEU . 21.8 t80 -109.72 110.36 21.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 60.36 37.64 20.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.27 28.22 58.44 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.547 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 m -133.91 95.69 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.591 ' HB2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -66.68 127.36 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 27.2 m-85 -109.83 -30.78 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -147.0 -178.09 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -117.12 115.27 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.0 m -139.14 178.42 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -64.87 -178.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.621 HD23 ' HB3' ' A' ' 63' ' ' ASP . 33.3 mt -92.37 138.27 31.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm 61.63 39.84 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 42.0 mtpt -148.6 36.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -138.27 100.56 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.8 tp -120.71 122.64 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -90.23 149.19 22.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 26' ' ' VAL . 25.0 m -156.54 166.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.455 ' HA ' HD23 ' A' ' 49' ' ' LEU . 19.6 mttt -68.47 122.27 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD2' HG11 ' A' ' 48' ' ' VAL . 16.5 tp -60.04 -33.05 71.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.89 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -99.71 31.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.6 m -115.96 160.51 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.45 141.11 32.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 135.35 66.64 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.487 2.124 . . . . 0.0 112.241 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -99.52 119.51 38.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.66 33.51 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.36 179.24 7.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 37' ' ' ARG . 24.6 t -59.31 124.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 -35.86 4.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.593 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -76.33 142.24 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.488 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.4 mt -73.74 150.95 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 159.61 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -123.51 145.95 48.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.73 145.7 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 78.35 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.53 -170.25 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.24 -58.61 1.9 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.87 111.52 2.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.34 106.98 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.499 2.133 . . . . 0.0 112.235 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.491 ' HB2' HD22 ' A' ' 54' ' ' LEU . 10.7 p90 -135.15 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.04 144.62 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.65 158.95 29.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.3 p -106.83 141.09 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.747 HG21 HD11 ' A' ' 39' ' ' ILE . 36.2 mt -61.59 134.85 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.672 ' O ' HG13 ' A' ' 20' ' ' VAL . 31.5 mmm180 -118.6 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CE2' ' CD1' ' A' ' 71' ' ' TYR . 49.0 t90 -125.08 131.67 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.747 HD11 HG21 ' A' ' 36' ' ' ILE . 22.9 mt -122.67 105.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.4 -169.38 28.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.79 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.3 115.27 21.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.495 0.188 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.4 159.64 15.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.447 2.098 . . . . 0.0 112.289 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.82 87.5 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.549 2.166 . . . . 0.0 112.369 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.17 -50.66 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.85 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.27 112.34 18.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.763 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.31 107.92 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.394 . . . . 0.0 110.539 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.85 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.7 121.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.4 t -63.63 100.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.676 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.5 mt -107.49 115.61 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.88 114.92 27.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.44 103.54 1.27 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.03 142.85 27.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -111.99 108.94 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 32' ' ' PHE . 14.8 mt -66.05 134.95 53.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -65.26 -33.32 75.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.91 151.49 20.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -87.87 104.72 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.3 t -105.96 121.32 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 135.56 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.17 -28.52 7.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.1 m -82.77 -179.9 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -110.23 -175.45 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -103.99 33.22 3.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.84 40.18 3.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.61 118.97 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 49' ' ' LEU . 6.5 t80 -98.03 101.36 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 59.23 29.12 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 -20.47 49.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.704 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -86.79 96.91 10.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -72.9 123.9 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 38' ' ' TRP . 67.5 m-85 -102.65 -42.75 5.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 30.3 p90 -135.81 168.27 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -106.98 109.04 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.81 173.08 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -62.09 171.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.65 135.68 36.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp 61.48 47.17 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 9.3 mtpt -153.76 38.1 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.02 106.67 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -123.51 108.78 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.1 m-85 -80.1 139.54 36.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.8 m -151.28 166.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -65.95 121.93 16.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.48 ' CD2' HG11 ' A' ' 48' ' ' VAL . 15.9 tp -59.17 -33.32 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.73 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 m -98.31 29.73 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.1 m -116.0 150.61 36.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.1 145.03 55.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 128.11 28.29 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.514 2.142 . . . . 0.0 112.248 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -100.24 102.33 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.79 25.87 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.854 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.857 0.361 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -145.27 178.06 8.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 37' ' ' ARG . 36.5 t -58.41 138.05 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.47 2.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -75.52 141.77 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.647 HD23 ' HB ' ' A' ' 35' ' ' VAL . 8.8 mt -70.88 148.21 48.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -150.45 153.22 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.3 tt0 -120.14 153.67 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.763 HG21 HG21 ' A' ' 82' ' ' VAL . 28.5 t -124.35 135.69 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -75.91 81.54 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -125.69 177.35 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.07 -58.73 17.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.27 109.73 2.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.94 85.38 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.371 2.047 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 14.7 p90 -106.88 172.8 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 10.9 m-85 -140.05 115.67 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.55 -174.14 13.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.647 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.4 p -125.73 145.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 111.062 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' HB1' ' A' ' 50' ' ' ALA . 41.3 mt -60.43 153.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mmp_? -135.44 -67.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.49 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 45.8 t90 -120.64 130.95 54.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 36' ' ' ILE . 13.4 mt -122.03 105.99 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.514 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.19 -168.56 27.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.818 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -129.57 115.37 18.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.552 0.215 . . . . 0.0 110.761 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.58 159.52 16.56 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.344 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.03 87.72 0.85 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.593 2.195 . . . . 0.0 112.23 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.4 -50.06 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.556 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.862 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.28 112.16 18.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.12 107.72 5.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 110.58 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.862 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.98 124.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.421 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -67.41 101.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.669 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 mt -108.15 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.31 102.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.574 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 24' ' ' ALA . 56.7 mt -88.33 144.25 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.7 111.76 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 13.2 mt -68.56 152.44 45.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.21 -31.71 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -98.15 126.76 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -68.88 96.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.69 128.45 53.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.65 121.01 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 138.42 -28.18 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.569 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m -87.08 167.82 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 -176.93 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.47 31.38 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.32 37.83 3.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.479 HG22 ' CA ' ' A' ' 70' ' ' ARG . 3.1 p -136.56 119.0 15.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -99.81 106.79 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 60.7 40.43 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 28.36 60.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 m -132.74 93.91 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CA ' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -61.22 134.45 57.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.49 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -117.45 -39.17 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -141.58 -178.38 5.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 t -116.71 112.92 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 m -144.05 175.43 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -64.31 154.56 34.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.06 147.55 44.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt 61.92 33.28 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 13.3 mtpt -147.61 38.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.06 100.33 3.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.424 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tp -115.06 108.75 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 82' ' ' VAL . 95.3 m-85 -77.66 144.1 37.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.763 HG21 HG21 ' A' ' 26' ' ' VAL . 16.7 m -157.37 166.13 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -70.2 123.95 22.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 48' ' ' VAL . 17.7 tp -58.96 -36.16 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -25.66 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.5 m -100.55 31.19 3.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 99.6 m -112.28 150.32 31.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -123.37 141.85 37.21 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.65 126.93 24.03 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.525 2.15 . . . . 0.0 112.23 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.93 98.34 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.3 29.72 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -142.69 174.04 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.4 t -59.48 132.1 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.24 -35.09 5.25 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.0 m -80.22 151.69 29.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.328 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 35' ' ' VAL . 5.9 mt -79.88 150.98 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -150.45 156.39 41.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -131.06 144.07 51.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 27' ' ' LYS . 20.3 t -104.0 158.85 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -98.05 37.04 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.36 177.73 8.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.67 -58.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 73.0 Cg_endo -76.39 109.67 2.91 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.587 2.191 . . . . 0.0 112.317 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 48.4 Cg_endo -68.7 86.91 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.406 2.071 . . . . 0.0 112.282 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -106.56 171.83 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -132.67 135.4 45.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.17 -162.72 11.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -140.95 148.42 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.732 HG21 HD11 ' A' ' 39' ' ' ILE . 38.3 mt -64.98 137.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.587 ' O ' HG13 ' A' ' 20' ' ' VAL . 28.0 mmm180 -121.76 -60.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.465 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.5 t90 -128.33 133.52 48.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.732 HD11 HG21 ' A' ' 36' ' ' ILE . 21.6 mt -124.39 106.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.639 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.01 -168.39 28.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.724 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.3 114.86 21.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.503 0.192 . . . . 0.0 110.688 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.69 159.65 16.61 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.485 2.123 . . . . 0.0 112.251 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.76 87.87 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.519 2.146 . . . . 0.0 112.28 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -51.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.528 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.859 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.695 0.283 . . . . 0.0 110.751 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.27 107.92 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.859 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.81 120.94 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.775 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.578 HG11 HD23 ' A' ' 84' ' ' LEU . 21.4 t -63.71 98.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 83' ' ' LYS . 10.2 mt -106.98 115.21 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.96 114.94 27.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.76 111.43 3.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 24' ' ' ALA . 74.0 mt -97.99 130.7 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.34 108.55 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mt -66.09 148.42 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.11 -32.72 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -100.39 148.33 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.73 83.76 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.3 m -77.24 126.52 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.77 114.15 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.66 -28.33 2.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.0 m -82.26 173.82 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 71.2 p -105.18 -177.21 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.601 ' HB3' HD23 ' A' ' 76' ' ' LEU . 4.6 p-10 -98.56 31.55 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.79 43.52 2.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 70' ' ' ARG . 40.2 p -137.7 119.04 14.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -102.18 107.83 19.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 59.72 39.9 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.31 28.34 64.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 m -130.73 94.03 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HB2' HG22 ' A' ' 65' ' ' THR . 1.2 ttt180 -70.06 120.22 15.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.428 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 49.9 m-85 -101.3 -34.92 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 21.0 p90 -140.69 -178.48 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 73' ' ' THR . 6.9 t -114.47 114.91 26.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -141.13 171.55 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -63.54 179.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 63' ' ' ASP . 4.5 mt -91.94 142.65 27.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp 61.55 35.99 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.641 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 32.9 mtpt -147.18 36.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -139.54 105.82 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -124.01 114.21 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -84.58 141.63 30.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 26' ' ' VAL . 16.9 m -153.62 166.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.6 mttp -64.61 131.21 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 HG11 ' A' ' 48' ' ' VAL . 33.8 tp -70.47 -31.71 68.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -27.51 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.0 m -104.23 31.76 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.28 135.33 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.18 126.8 30.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 127.47 25.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.298 1.999 . . . . 0.0 112.311 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.32 102.3 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.73 30.42 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -141.56 178.98 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ARG . 23.0 t -58.56 141.36 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.39 -38.32 3.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.9 m -82.57 158.17 23.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -90.84 150.26 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.39 158.07 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.6 tt0 -119.94 148.73 43.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.4 t -111.87 148.8 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -92.24 83.02 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.24 -168.77 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 2.1 m-80 -75.71 -58.6 1.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.5 Cg_endo -79.03 111.3 2.91 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.05 109.36 0.92 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.416 2.077 . . . . 0.0 112.23 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' A' ' 54' ' ' LEU . 2.9 p90 -132.52 164.85 25.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 30.8 m-85 -133.32 137.99 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.87 174.17 32.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 22' ' ' SER . 11.8 p -117.56 139.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.685 HG23 ' HB1' ' A' ' 50' ' ' ALA . 36.0 mt -60.51 136.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -121.67 -64.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.486 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 46.5 t90 -120.15 131.31 54.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.648 HD11 HG21 ' A' ' 36' ' ' ILE . 37.5 mt -122.08 106.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.574 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.35 -168.13 27.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.786 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -127.62 115.3 21.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.502 0.191 . . . . 0.0 110.783 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.43 159.87 15.23 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.497 2.132 . . . . 0.0 112.27 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.95 87.56 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -50.87 0.43 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.621 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 112.6 18.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.268 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -73.46 107.87 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.6 pt-20 -166.87 121.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.2 t -63.16 99.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.66 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 83' ' ' LYS . 12.4 mt -108.24 117.25 33.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.685 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.98 27.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 105.01 1.44 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.443 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.49 143.41 26.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -109.47 109.68 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 32' ' ' PHE . 13.6 mt -67.46 135.15 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.6 -35.23 78.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.23 134.23 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -60.14 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.3 t -86.38 123.95 32.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 117.16 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.45 42.32 1.5 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.5 m -136.63 169.91 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -104.19 -179.29 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.55 ' HB3' HD23 ' A' ' 76' ' ' LEU . 13.3 p-10 -107.87 31.4 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.63 28.7 5.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.43 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 p -128.42 119.04 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -107.62 115.29 29.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 60.22 36.42 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.39 65.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.555 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.2 m -133.86 94.43 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 134.06 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 26.4 m-85 -115.63 -38.4 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -139.14 -178.95 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.58 107.66 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.47 -177.88 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.633 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -71.61 161.56 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 63' ' ' ASP . 2.4 mt -76.83 144.7 38.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 60.44 35.93 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.633 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.2 mtpt -148.69 38.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.51 101.67 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.5 tp -117.21 113.54 22.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -84.13 139.12 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 26' ' ' VAL . 19.8 m -148.76 166.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.0 mttt -68.23 122.51 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' HG11 ' A' ' 48' ' ' VAL . 11.5 tp -58.82 -38.61 79.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -63.98 -24.64 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -101.32 33.88 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.25 145.66 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -117.46 141.94 29.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.27 126.79 23.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.473 2.115 . . . . 0.0 112.329 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -103.04 102.19 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.7 30.72 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 89' ' ' PRO . 35.2 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.856 0.36 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 37' ' ' ARG . 24.0 t -58.58 136.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.58 -38.53 3.09 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.04 148.88 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD23 ' HB ' ' A' ' 35' ' ' VAL . 7.1 mt -83.7 149.22 26.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.52 146.45 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -110.53 154.31 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 82' ' ' VAL . 21.5 t -115.31 152.82 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.23 106.85 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.29 -169.66 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.28 -58.52 1.9 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 109.54 2.81 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.67 117.78 5.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.359 2.039 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -138.41 161.98 35.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -128.42 134.97 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.67 -169.24 19.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.752 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.5 p -133.4 146.36 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.076 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.707 HG23 ' HB1' ' A' ' 50' ' ' ALA . 43.5 mt -66.38 141.22 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.538 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 mmp_? -121.97 -66.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.456 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.7 t90 -120.62 131.49 54.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 36' ' ' ILE . 4.7 mt -121.94 105.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.62 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.85 -168.79 28.55 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.78 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.67 115.45 20.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.45 159.45 16.29 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.393 2.062 . . . . 0.0 112.206 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.84 87.46 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.542 2.161 . . . . 0.0 112.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.58 -50.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.577 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.855 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.26 112.38 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 110.795 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.12 107.95 5.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.864 0.364 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.855 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.75 120.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.747 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.465 HG11 ' CD2' ' A' ' 84' ' ' LEU . 19.3 t -64.39 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.849 0.357 . . . . 0.0 110.651 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 83' ' ' LYS . 29.2 mt -108.15 117.24 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.786 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.01 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.46 103.75 1.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.29 151.95 21.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -117.54 104.82 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.19 135.99 52.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -70.02 -36.04 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.83 126.21 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.03 87.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.0 m -91.36 139.17 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.84 131.61 44.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.91 -28.4 7.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.16 164.25 26.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.45 -176.6 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -109.73 31.35 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.39 41.07 2.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 70' ' ' ARG . 74.8 p -141.72 136.73 31.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 10.3 t80 -108.63 108.4 19.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 58.35 29.42 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.32 -20.44 47.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.591 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 m -84.34 108.97 17.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HA ' HG22 ' A' ' 65' ' ' THR . 10.9 ttm180 -77.46 128.32 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 48.7 m-85 -111.48 -46.58 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 12.6 p90 -133.24 168.58 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -108.79 103.53 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.05 173.91 10.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.72 157.4 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.8 145.63 40.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 60.32 31.43 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.635 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 8.0 mtpt -143.6 40.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.51 109.3 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -121.16 112.87 19.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -83.4 138.27 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 26' ' ' VAL . 15.7 m -151.83 167.03 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.536 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.1 mttt -67.06 123.2 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.465 ' CD2' HG11 ' A' ' 48' ' ' VAL . 18.0 tp -59.23 -35.7 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -25.73 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.3 m -98.15 29.55 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 80.0 m -116.01 149.57 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.95 143.34 46.5 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' N ' HD21 ' A' ' 18' ' ' LEU . 51.7 Cg_exo -54.2 133.5 55.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.518 2.145 . . . . 0.0 112.276 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -102.97 113.54 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.75 30.25 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.37 177.94 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 37' ' ' ARG . 22.0 t -60.54 140.09 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.63 -28.4 14.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.417 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' VAL . 68.7 m -92.89 158.29 15.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.9 mt -89.54 150.99 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.28 159.1 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -122.72 145.2 48.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.007 HG21 HG21 ' A' ' 82' ' ' VAL . 25.4 t -112.62 127.78 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.63 125.05 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.55 174.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.67 -59.61 13.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 73.6 Cg_endo -76.1 109.78 2.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 55.9 Cg_endo -69.96 87.44 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.363 2.042 . . . . 0.0 112.341 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.484 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.4 p90 -104.38 160.09 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.15 127.64 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' HD22 ' A' ' 52' ' ' LEU . . . -149.06 156.82 27.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.528 ' HB ' HD23 ' A' ' 23' ' ' LEU . 10.7 p -99.59 142.44 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.64 HG23 ' HB1' ' A' ' 50' ' ' ALA . 37.8 mt -62.25 146.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 19.3 mmm180 -130.36 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.452 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 57.7 t90 -117.61 133.32 56.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 36' ' ' ILE . 31.4 mt -124.92 105.95 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.47 -169.49 29.15 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.837 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -128.15 115.07 20.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.526 0.203 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD3' HD12 ' A' ' 49' ' ' LEU . 43.6 Cg_exo -57.51 159.72 15.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.498 2.132 . . . . 0.0 112.317 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.08 87.8 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.553 2.169 . . . . 0.0 112.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.27 -50.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.842 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.25 112.0 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.669 0.271 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -73.55 107.6 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.842 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.2 pt-20 -167.0 120.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.694 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.4 t -62.09 105.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.612 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' HD3' ' A' ' 42' ' ' PRO . 7.6 mt -110.19 118.28 35.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -94.25 114.93 27.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.4 102.97 1.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 34' ' ' GLY . 79.3 mt -90.48 136.41 33.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -103.66 108.56 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 32' ' ' PHE . 8.7 mt -66.07 134.88 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.02 -31.44 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.93 127.17 48.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.13 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.48 123.81 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.17 116.94 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.23 -28.62 2.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.4 m -89.11 175.0 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -106.87 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.674 ' HB3' HD23 ' A' ' 76' ' ' LEU . 19.9 p-10 -98.33 34.03 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.73 38.75 3.34 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.01 118.99 21.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -110.21 108.62 18.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.26 35.88 20.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.2 28.84 63.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -127.82 94.02 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -62.0 122.63 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 15.7 m-85 -108.68 -40.35 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 24.1 p90 -147.15 174.19 11.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 73' ' ' THR . 9.5 t -108.68 118.0 35.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.88 -178.95 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.622 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -73.99 156.67 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 63' ' ' ASP . 6.9 mt -70.33 142.55 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp 60.96 37.08 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.622 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 6.3 mtpt -147.88 38.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -142.9 98.97 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 tp -112.43 103.29 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 82' ' ' VAL . 96.2 m-85 -73.17 142.77 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.007 HG21 HG21 ' A' ' 26' ' ' VAL . 14.8 m -158.03 167.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.012 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HA ' HD23 ' A' ' 49' ' ' LEU . 7.1 mtmt -74.12 126.21 30.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 111.159 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.35 -42.4 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -63.97 -22.71 67.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.1 m -98.25 29.43 3.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' ' 26' ' ' VAL . 21.0 m -115.96 169.99 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.99 143.23 30.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 128.33 29.75 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.453 2.102 . . . . 0.0 112.254 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.01 116.84 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 32.4 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 175.21 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 37' ' ' ARG . 22.5 t -58.72 122.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.21 -28.52 9.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.3 m -88.13 158.67 18.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.0 mt -87.48 151.04 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -146.84 167.54 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.4 tt0 -133.56 148.87 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 27' ' ' LYS . 21.3 t -115.69 156.22 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' N ' HG12 ' A' ' 26' ' ' VAL . 9.5 tttm -96.22 62.41 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -101.99 -172.93 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.07 -58.7 3.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.02 111.72 2.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.697 2.264 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 89.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.473 2.115 . . . . 0.0 112.203 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -109.68 168.84 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 29.5 m-85 -138.32 112.92 8.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.79 176.89 16.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -121.48 144.29 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.621 HG21 HD11 ' A' ' 39' ' ' ILE . 34.1 mt -62.41 136.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 20' ' ' VAL . 28.1 mmm180 -124.33 -59.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.497 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 60.4 t90 -128.21 134.09 48.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.621 HD11 HG21 ' A' ' 36' ' ' ILE . 22.5 mt -124.88 106.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.47 -171.78 33.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.735 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -128.1 115.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.534 0.206 . . . . 0.0 110.701 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.57 159.61 16.31 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.449 2.1 . . . . 0.0 112.36 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 87.3 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.547 2.165 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.08 -50.05 0.42 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.552 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.3 112.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 110.821 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.41 107.77 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.463 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.795 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.88 121.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.426 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.6 t -64.95 102.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 66' ' ' PHE . 16.4 mt -108.05 115.45 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.76 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.25 122.98 26.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD12 ' CG2' ' A' ' 82' ' ' VAL . 45.4 mt -114.77 130.01 56.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.78 105.83 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.52 139.56 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.45 -43.19 86.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.26 131.25 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -73.19 108.89 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.58 137.34 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.45 106.86 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.72 -28.63 2.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.5 m -66.61 169.11 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -102.66 -178.62 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -110.48 30.86 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.86 40.92 2.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 128.65 20.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE2' HD13 ' A' ' 49' ' ' LEU . 11.9 t80 -109.9 107.61 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 60.3 39.6 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.45 28.09 62.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 m -130.76 94.83 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.99 132.57 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 13.6 m-85 -118.48 -40.98 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 27.9 p90 -141.15 -178.46 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 m -115.32 112.72 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.78 -177.73 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -71.48 -176.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -93.37 140.24 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt 60.91 39.97 16.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.583 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.2 mtpt -148.72 41.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.29 107.42 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -126.61 110.88 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -85.01 137.74 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.608 ' CG2' HD12 ' A' ' 52' ' ' LEU . 14.1 m -145.78 167.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.423 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.8 mttt -68.54 121.41 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 50' ' ' ALA . 16.2 tp -59.65 -29.94 68.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -63.93 -28.01 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.5 m -105.64 31.53 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.49 139.78 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.64 145.16 31.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 106.66 2.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.489 2.126 . . . . 0.0 112.363 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -66.54 129.81 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -109.15 30.98 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.542 HD21 ' HD3' ' A' ' 89' ' ' PRO . 4.3 mt . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pt-20 -139.56 178.43 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.3 t -62.86 131.5 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.37 -31.61 8.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -85.81 151.81 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 35' ' ' VAL . 15.2 mt -80.3 150.51 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.451 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -153.28 156.23 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.4 tt0 -123.79 148.11 46.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 82' ' ' VAL . 24.8 t -112.94 157.9 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 tttt -97.16 39.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.14 -177.98 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.21 -58.53 12.1 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.47 109.64 2.9 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.606 2.204 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.35 94.87 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 8.2 p90 -122.25 172.97 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.1 m-85 -131.39 121.13 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.65 166.59 25.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.64 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -107.81 147.4 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.081 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.649 HG21 HD11 ' A' ' 39' ' ' ILE . 40.1 mt -64.59 139.37 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 20' ' ' VAL . 31.2 mmm180 -124.53 -60.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 59.6 t90 -127.33 133.77 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.649 HD11 HG21 ' A' ' 36' ' ' ILE . 19.7 mt -125.02 105.93 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.513 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.06 -169.12 29.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.08 115.5 18.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.578 0.227 . . . . 0.0 110.709 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.38 159.63 15.61 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.52 2.147 . . . . 0.0 112.328 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.13 87.49 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.89 -50.36 0.42 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.631 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.849 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.26 113.26 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 110.868 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -73.37 107.81 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.429 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.849 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.3 pt-20 -166.94 121.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -65.46 100.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 83' ' ' LYS . 6.9 mt -108.06 116.76 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.21 114.93 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.24 113.69 5.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.415 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' A' ' 82' ' ' VAL . 14.3 mt -101.63 131.59 47.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 6.8 mt -67.91 143.22 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.4 -31.62 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.54 133.89 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.57 97.56 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.14 129.41 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.01 131.38 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.81 28.39 4.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.2 m -137.75 151.93 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -88.69 -173.42 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -110.14 31.87 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.55 44.75 1.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.14 119.13 12.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 49' ' ' LEU . 28.6 t80 -109.64 118.53 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 60.38 32.2 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.08 28.44 60.4 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -131.59 104.52 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -64.3 129.56 40.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -113.11 -37.5 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -151.59 172.81 15.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 73' ' ' THR . 9.6 t -107.17 116.86 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.7 m -143.95 171.15 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -60.11 152.75 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.11 146.29 50.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt 60.22 33.82 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.487 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 3.5 mtpt -149.04 37.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.68 99.16 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.411 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 62.8 tp -119.04 123.16 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 89.8 m-85 -93.09 141.35 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 26' ' ' VAL . 16.1 m -149.07 166.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HA ' HD23 ' A' ' 49' ' ' LEU . 14.4 mttt -67.97 120.68 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 50' ' ' ALA . 16.2 tp -59.51 -29.1 67.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -28.07 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.8 m -102.17 31.63 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.6 m -113.92 158.04 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.5 145.17 39.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.542 ' HD3' HD21 ' A' ' 18' ' ' LEU . 32.9 Cg_endo -67.83 109.4 1.89 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.388 2.059 . . . . 0.0 112.224 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -65.73 131.53 46.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -100.26 30.1 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -128.72 178.36 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 37' ' ' ARG . 36.2 t -58.29 143.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.72 -45.66 2.53 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -70.76 153.07 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.7 mt -82.37 148.9 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.83 148.66 29.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.238 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -115.45 151.3 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.6 t -117.62 132.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.12 -178.93 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.77 -59.38 14.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.81 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.0 109.53 2.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.175 . . . . 0.0 112.236 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.08 104.33 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.452 2.101 . . . . 0.0 112.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 8.4 p90 -133.14 158.83 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -121.8 148.9 44.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.85 163.2 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.576 ' HB ' HD23 ' A' ' 23' ' ' LEU . 12.4 p -106.26 147.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.312 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.604 HG23 ' HB1' ' A' ' 50' ' ' ALA . 37.0 mt -66.34 144.1 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.511 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mmp_? -126.13 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.443 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.9 t90 -119.96 132.43 55.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 36' ' ' ILE . 21.0 mt -124.35 105.89 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.12 -167.08 25.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.857 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -127.66 114.96 20.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.473 0.178 . . . . 0.0 110.735 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.41 159.72 15.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.85 87.69 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.29 -51.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.57 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.27 113.51 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.722 0.296 . . . . 0.0 110.886 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.48 107.76 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.857 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.76 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG11 HD23 ' A' ' 84' ' ' LEU . 21.3 t -63.48 99.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 0.0 110.649 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 83' ' ' LYS . 16.7 mt -107.82 116.09 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.604 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.02 116.39 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' ILE . 53.8 mt -104.01 147.38 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -110.89 108.64 18.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.64 135.49 48.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -69.21 -38.28 78.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.12 118.33 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.28 98.1 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.3 123.49 47.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.01 139.03 57.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.02 -28.57 8.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.504 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 78.6 m -76.53 172.44 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -100.71 179.98 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.634 ' HB3' HD23 ' A' ' 76' ' ' LEU . 28.7 p30 -108.96 31.22 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.84 42.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 p -139.29 118.95 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.472 ' CE2' HD13 ' A' ' 49' ' ' LEU . 31.6 t80 -103.74 112.98 26.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 60.2 38.19 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.27 28.38 66.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -132.77 93.97 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -61.26 140.26 57.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 17.5 m-85 -124.9 -44.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -133.57 170.66 15.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.34 107.37 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.48 -176.83 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -70.04 170.08 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.1 mt -84.95 142.96 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm 62.43 38.14 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 1.7 mtpt -151.32 39.49 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.41 111.29 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.408 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 41.0 tp -130.1 122.67 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 63.0 m-85 -96.38 147.3 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 81' ' ' PHE . 8.5 m -155.81 165.11 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.074 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.5 mttt -68.72 122.81 19.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.533 HD23 HG11 ' A' ' 48' ' ' VAL . 27.3 tp -61.06 -36.63 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -25.52 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.58 33.9 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 54.2 m -114.55 142.54 46.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 145.17 30.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.737 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.51 110.43 2.87 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.438 2.092 . . . . 0.0 112.282 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.55 131.92 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.69 30.15 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.86 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.8 t -60.41 128.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.7 -30.24 10.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.2 m -87.36 145.44 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 35' ' ' VAL . 6.8 mt -74.92 143.69 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -147.44 144.73 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.9 tt0 -118.41 144.11 46.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.84 HG21 HG21 ' A' ' 82' ' ' VAL . 27.7 t -106.78 158.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.8 tttp -97.39 37.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -178.08 5.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.66 -59.13 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 71.7 Cg_endo -76.93 109.51 2.86 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.697 2.265 . . . . 0.0 112.269 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 48.6 Cg_endo -68.56 81.69 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.422 2.081 . . . . 0.0 112.294 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.8 p90 -100.85 173.01 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 19.9 m-85 -136.52 123.4 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.31 -155.35 6.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.694 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -144.47 148.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.681 HG21 HD11 ' A' ' 39' ' ' ILE . 36.1 mt -65.08 137.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.584 ' O ' HG13 ' A' ' 20' ' ' VAL . 25.8 mmm180 -121.61 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.456 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.7 t90 -127.92 134.5 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.681 HD11 HG21 ' A' ' 36' ' ' ILE . 12.4 mt -125.56 105.96 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.531 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.52 -168.01 28.05 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.744 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.4 115.34 18.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.733 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.38 159.66 15.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.396 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.1 87.46 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.587 2.192 . . . . 0.0 112.295 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.71 -50.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.861 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 112.02 18.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.655 0.264 . . . . 0.0 110.798 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.48 107.76 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.428 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.861 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.6 pt-20 -166.95 121.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.748 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.53 100.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 83' ' ' LYS . 6.8 mt -108.61 117.0 33.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.98 114.91 27.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 111.86 4.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 24' ' ' ALA . 57.3 mt -100.89 130.11 46.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -97.51 111.37 23.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 32' ' ' PHE . 9.3 mt -71.83 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.68 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -85.37 136.87 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.2 69.87 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.92 120.58 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.76 109.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.36 -27.99 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.7 m -87.05 -179.39 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.2 p -101.04 -176.67 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.634 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.4 p30 -111.58 31.4 6.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.08 33.06 3.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -132.51 119.15 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.42 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 24.4 t80 -112.48 107.13 15.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 60.73 38.64 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.55 28.47 71.01 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -128.21 93.95 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -60.63 131.92 52.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 21.1 m-85 -120.9 -42.42 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -149.8 163.43 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 73' ' ' THR . 9.7 t -100.5 120.3 39.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -143.56 170.46 15.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -61.07 152.95 26.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 63' ' ' ASP . 2.1 mt -67.92 142.4 56.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt 61.8 40.12 13.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.672 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 15.1 mtpt -151.68 39.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 107.11 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 tp -123.83 116.79 23.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 66' ' ' PHE . 91.0 m-85 -90.8 141.74 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.84 HG21 HG21 ' A' ' 26' ' ' VAL . 6.7 m -152.99 166.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.453 ' HA ' HD23 ' A' ' 49' ' ' LEU . 9.0 mttt -66.76 122.4 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 50' ' ' ALA . 21.3 tp -59.39 -29.63 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -64.01 -28.05 69.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 m -101.58 33.8 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 52.7 m -109.87 163.63 13.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.01 145.13 37.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.51 108.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.435 2.09 . . . . 0.0 112.203 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.31 132.12 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.83 26.59 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.922 -179.924 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 ' O ' ' A' ' 87' ' ' CYS . 82.7 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.621 HG23 HD12 ' A' ' 39' ' ' ILE . 21.8 t -59.76 130.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.67 -28.05 15.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.4 m -90.44 157.71 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.628 HD23 ' HB ' ' A' ' 35' ' ' VAL . 6.1 mt -89.71 150.85 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 166.27 29.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -130.91 148.06 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.423 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 21.3 t -111.19 149.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.166 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -90.5 91.35 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -173.51 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 1.7 m-80 -71.15 -58.8 3.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 29' ' ' ASN . 92.2 Cg_endo -78.88 111.28 2.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.6 87.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.475 2.117 . . . . 0.0 112.219 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 54' ' ' LEU . 17.3 p90 -109.36 140.81 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.48 149.45 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.58 -177.51 34.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.628 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -127.67 145.65 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.492 HG21 HD11 ' A' ' 39' ' ' ILE . 37.0 mt -64.95 140.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' HG13 ' A' ' 20' ' ' VAL . 22.9 mmm180 -125.31 -61.49 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.463 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.6 t90 -127.39 132.55 50.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.621 HD12 HG23 ' A' ' 20' ' ' VAL . 2.3 mt -123.96 106.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.594 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.78 30.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.755 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -126.51 114.91 23.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.674 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.52 159.55 16.28 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.466 2.111 . . . . 0.0 112.275 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.72 87.45 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.544 2.162 . . . . 0.0 112.269 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.85 -51.3 0.41 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.29 113.14 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.36 108.02 5.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.72 120.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' A' ' 84' ' ' LEU . 20.5 t -64.04 99.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.732 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 83' ' ' LYS . 33.5 mt -106.19 113.95 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.751 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.99 114.92 27.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.84 114.47 6.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.418 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.2 mt -103.58 131.44 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -100.01 105.96 17.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 32' ' ' PHE . 12.0 mt -66.01 129.96 41.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.65 -31.15 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.34 122.72 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.11 91.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 22.8 m -101.71 141.47 34.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.75 133.32 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 28.46 5.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.2 m -134.06 143.31 47.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 p -80.02 -176.31 5.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -110.78 31.21 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.79 50.44 1.09 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.9 133.33 23.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 31.5 t80 -125.79 114.45 18.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG3' ' CD2' ' A' ' 66' ' ' PHE . 21.4 mtm180 60.34 36.25 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.06 28.55 71.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.7 m -126.39 96.47 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -60.67 120.69 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.424 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 15.9 m-85 -107.41 -42.29 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 42.0 p90 -147.02 165.92 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 t -105.06 118.43 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.52 -176.8 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -70.17 167.69 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.44 137.64 36.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 61.97 39.2 13.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 2.9 mtpt -147.37 39.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.68 109.31 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.2 tp -127.49 105.75 8.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -80.01 141.43 35.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.79 166.99 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HA ' HD23 ' A' ' 49' ' ' LEU . 13.6 mttt -69.7 122.28 18.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.52 ' CD2' HG11 ' A' ' 48' ' ' VAL . 13.0 tp -59.02 -33.45 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 m -104.09 31.71 4.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.469 ' O ' HD11 ' A' ' 18' ' ' LEU . 34.1 m -114.71 128.07 56.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.73 137.68 19.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.35 132.8 52.77 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.435 2.09 . . . . 0.0 112.264 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.33 104.15 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.01 26.54 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 36' ' ' ILE . 8.2 pt-20 -136.28 175.2 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.9 t -59.87 138.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.41 -28.72 12.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -90.96 152.59 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.2 mt -85.49 150.15 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.66 155.66 35.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -120.07 151.48 38.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG21 HG21 ' A' ' 82' ' ' VAL . 20.6 t -112.61 159.47 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.196 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.7 tppp? -93.59 46.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.27 166.78 14.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.515 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 5.2 m-80 -63.7 -50.23 72.71 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 87.4 Cg_endo -81.82 111.71 2.28 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.496 2.131 . . . . 0.0 112.248 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.37 115.76 2.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.399 2.066 . . . . 0.0 112.303 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 54' ' ' LEU . 8.4 p90 -142.03 157.95 44.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 40.6 m-85 -129.35 122.92 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.52 159.77 27.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.439 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.674 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -99.4 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 39' ' ' ILE . 43.2 mt -64.94 136.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.6 mmm180 -119.4 -62.14 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.7 t90 -127.67 133.88 49.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.845 HD11 HG21 ' A' ' 36' ' ' ILE . 30.5 mt -126.24 105.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.581 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -168.95 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.795 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -126.83 114.47 22.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.542 0.21 . . . . 0.0 110.715 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.64 159.66 16.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.472 2.114 . . . . 0.0 112.274 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.84 88.01 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.91 -51.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.535 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.844 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 111.96 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.655 0.265 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.03 107.83 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.844 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.86 120.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.803 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.51 100.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.715 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.545 HD13 ' CE2' ' A' ' 66' ' ' PHE . 24.0 mt -106.8 113.97 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.732 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.62 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.28 103.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.11 130.59 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.38 109.88 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 32' ' ' PHE . 7.6 mt -69.62 141.19 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.38 -31.25 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.32 137.05 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -76.86 93.64 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.68 124.08 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.16 124.57 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.44 -29.55 2.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.0 m -91.19 176.33 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.355 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 p -106.19 -170.26 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.688 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.0 p30 -105.56 32.29 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.76 33.62 3.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -128.86 128.13 43.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.545 ' CE2' HD13 ' A' ' 49' ' ' LEU . 22.2 t80 -111.69 111.68 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 60.35 35.63 20.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.86 28.98 55.76 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.7 m -132.35 104.96 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -64.72 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.404 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 8.0 m-85 -112.27 -42.83 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 35.2 p90 -140.45 -178.95 5.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 109.62 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.85 172.43 12.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.7 -177.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 63' ' ' ASP . 18.9 mt -88.97 137.95 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp 62.74 39.68 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -144.36 38.4 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.07 99.98 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -112.51 108.12 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 82' ' ' VAL . 97.5 m-85 -84.28 137.75 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.566 HG21 HG21 ' A' ' 26' ' ' VAL . 17.1 m -156.59 167.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.498 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.0 mttt -65.06 123.14 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 50' ' ' ALA . 22.2 tp -59.09 -30.49 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -63.91 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 m -97.59 32.55 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.94 152.59 33.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -132.64 145.09 55.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 128.23 28.87 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.53 2.154 . . . . 0.0 112.271 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.95 108.06 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -99.01 31.28 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' ILE . 6.2 pt-20 -138.55 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.8 t -58.89 130.8 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.09 -29.04 13.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.709 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.0 mt -87.82 150.85 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.07 165.53 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -126.12 160.95 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.53 152.06 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -86.93 119.0 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -170.02 -174.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.35 -58.02 4.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.51 109.77 2.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.504 2.136 . . . . 0.0 112.31 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.59 95.26 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.45 2.1 . . . . 0.0 112.241 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -116.41 173.01 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -136.66 127.32 27.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.25 152.49 21.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.709 ' HB ' HD23 ' A' ' 23' ' ' LEU . 12.7 p -99.8 145.91 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.662 HG21 HD11 ' A' ' 39' ' ' ILE . 42.9 mt -65.45 135.57 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.544 ' O ' HG13 ' A' ' 20' ' ' VAL . 22.5 mmm180 -120.47 -63.02 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.003 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.447 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 60.1 t90 -123.83 134.24 53.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.662 HD11 HG21 ' A' ' 36' ' ' ILE . 9.7 mt -125.43 105.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.27 -170.25 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.761 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -128.92 115.45 19.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.512 0.196 . . . . 0.0 110.743 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.33 159.74 15.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.517 2.145 . . . . 0.0 112.271 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.28 87.01 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.621 2.214 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.16 -50.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.628 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.834 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.32 112.73 18.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.821 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -73.24 107.88 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.421 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.834 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.3 pt-20 -166.75 121.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.811 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 84' ' ' LEU . 26.1 t -65.64 100.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 66' ' ' PHE . 17.8 mt -106.99 114.03 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.93 114.93 27.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.91 121.75 20.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.414 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD12 ' CG2' ' A' ' 82' ' ' VAL . 62.2 mt -112.62 126.79 55.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -95.9 111.18 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.26 128.01 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.96 -31.66 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.83 142.27 27.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.73 99.59 10.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.15 126.0 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.72 127.0 31.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.86 28.39 5.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.7 m -122.09 -173.91 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.752 0.31 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.9 p -111.14 -177.99 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -122.17 31.75 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.94 34.88 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.405 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 70' ' ' ARG . 41.4 p -138.22 134.44 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE2' HD13 ' A' ' 49' ' ' LEU . 11.4 t80 -113.47 107.2 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 58.48 42.7 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.21 28.74 59.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -130.07 94.05 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.612 ' HA ' HG22 ' A' ' 65' ' ' THR . 18.3 ttm180 -64.88 124.95 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.426 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 18.6 m-85 -113.27 -37.38 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.11 168.97 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 m -109.2 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.9 m -131.1 -176.83 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.614 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -61.14 164.44 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.3 137.47 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt 60.88 38.42 17.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 12.5 mtpt -148.11 40.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.43 111.1 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.6 tp -125.53 122.25 36.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 82' ' ' VAL . 85.8 m-85 -93.11 145.06 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.497 ' CG2' HD12 ' A' ' 52' ' ' LEU . 15.6 m -156.64 166.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.7 mttt -68.0 122.81 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 50' ' ' ALA . 22.3 tp -58.4 -35.49 72.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -63.93 -26.0 68.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -101.14 33.83 2.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.7 m -113.96 151.12 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -124.82 130.25 24.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.97 128.05 28.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.119 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -103.06 102.58 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.09 27.1 4.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 175.17 9.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.2 t -58.06 133.36 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.32 13.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' VAL . 58.0 m -82.99 154.87 24.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 35' ' ' VAL . 4.2 mt -90.69 151.0 21.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.68 159.85 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -116.63 165.33 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.29 136.74 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.94 87.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.95 162.62 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.537 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 9.4 m-80 -59.18 -52.75 72.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 73.4 Cg_endo -74.92 111.41 3.32 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.278 1.986 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 91.41 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.589 2.192 . . . . 0.0 112.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.704 ' HB2' HD22 ' A' ' 54' ' ' LEU . 11.3 p90 -119.8 140.72 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -114.27 144.01 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.93 175.99 34.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.599 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.3 p -119.68 145.95 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.796 0.332 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.792 HG21 HD11 ' A' ' 39' ' ' ILE . 31.8 mt -66.27 135.43 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.61 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mmp_? -117.94 -66.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.6 t90 -121.21 131.11 54.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.073 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.792 HD11 HG21 ' A' ' 36' ' ' ILE . 33.1 mt -122.36 105.97 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.41 -167.72 26.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.702 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -129.16 115.52 18.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.543 0.211 . . . . 0.0 110.725 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.42 159.53 15.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.389 2.06 . . . . 0.0 112.287 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.05 87.38 0.87 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.519 2.146 . . . . 0.0 112.287 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.832 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.25 113.55 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.33 107.78 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.832 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.0 pt-20 -166.77 121.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.524 HG11 HD23 ' A' ' 84' ' ' LEU . 21.3 t -65.9 100.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.1 mt -108.98 117.09 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.644 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.3 114.97 27.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 112.31 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.555 HD12 ' CG2' ' A' ' 82' ' ' VAL . 25.7 mt -103.66 146.65 28.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.07 107.91 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 32' ' ' PHE . 11.6 mt -66.14 137.06 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.95 -32.05 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -92.72 129.27 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.41 103.69 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.44 133.68 51.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.83 135.04 50.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.7 28.63 6.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.549 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.3 160.72 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -96.98 -178.02 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.17 34.16 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -141.62 133.21 26.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 49' ' ' LEU . 23.1 t80 -119.86 111.7 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 60.39 36.3 20.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.23 63.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -132.05 94.15 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -63.57 126.86 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.424 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 22.6 m-85 -112.14 -40.39 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -139.14 169.2 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' THR . 10.4 t -106.35 113.95 27.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.52 -176.86 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -67.12 -178.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.85 135.58 35.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 61.03 38.21 17.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 6.1 mtpt -147.14 41.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.75 109.52 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.2 tp -123.99 121.67 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 79.1 m-85 -95.01 137.59 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.555 ' CG2' HD12 ' A' ' 52' ' ' LEU . 10.6 m -146.6 165.36 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -71.0 123.76 22.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.524 HD23 HG11 ' A' ' 48' ' ' VAL . 28.0 tp -58.44 -38.02 76.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -24.98 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -103.67 31.49 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.16 154.94 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 130.55 24.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 134.35 59.48 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.412 2.075 . . . . 0.0 112.265 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -101.89 116.39 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.92 28.97 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' A' ' 89' ' ' PRO . 42.6 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 pt-20 -144.74 179.18 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.47 132.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.52 -34.22 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -92.59 139.78 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.6 mt -68.05 143.97 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -143.71 147.86 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -112.14 147.57 35.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.663 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.9 t -107.06 158.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 tttp -100.83 75.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.32 -169.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.04 -58.55 1.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.781 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.408 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.4 Cg_endo -79.05 111.59 2.95 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 96.84 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.413 2.076 . . . . 0.0 112.231 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 4.4 p90 -119.64 151.26 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.45 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 10.8 m-85 -116.97 156.75 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.79 -178.4 43.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.443 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.415 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.1 p -124.56 143.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.599 HG21 HD11 ' A' ' 39' ' ' ILE . 37.4 mt -64.92 140.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -126.38 -63.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.444 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 52.9 t90 -122.26 132.89 54.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.599 HD11 HG21 ' A' ' 36' ' ' ILE . 20.5 mt -124.65 105.91 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.573 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.79 -169.47 28.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.801 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -127.05 114.9 21.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.576 0.226 . . . . 0.0 110.759 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -57.54 159.8 15.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.471 2.114 . . . . 0.0 112.233 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.9 87.89 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.505 2.136 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.99 -51.1 0.43 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.865 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.29 112.62 18.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.716 0.293 . . . . 0.0 110.811 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -73.27 107.83 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.973 0.416 . . . . 0.0 110.437 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.865 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.77 121.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 ' CD2' ' A' ' 84' ' ' LEU . 20.3 t -63.18 100.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.843 0.354 . . . . 0.0 110.673 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.644 HD13 ' CE2' ' A' ' 66' ' ' PHE . 17.1 mt -106.43 114.45 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.99 114.9 27.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 116.78 8.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.72 135.21 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.86 108.58 19.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.99 132.56 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.09 -32.95 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.39 136.6 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -73.99 109.57 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.3 m -104.69 132.28 51.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.08 123.94 22.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.41 28.66 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 82.0 m -127.25 175.43 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 16.5 p -107.82 173.12 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.698 ' HB3' HD23 ' A' ' 76' ' ' LEU . 5.3 p30 -101.73 31.44 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.54 42.88 1.2 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.679 HG22 ' CA ' ' A' ' 70' ' ' ARG . 7.4 p -139.88 121.39 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.644 ' CE2' HD13 ' A' ' 49' ' ' LEU . 28.5 t80 -104.06 119.95 40.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? 60.08 31.78 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.64 27.3 51.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 m -134.04 112.16 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.679 ' CA ' HG22 ' A' ' 65' ' ' THR . 7.7 ttm180 -75.07 127.96 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.41 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 16.6 m-85 -111.73 -36.42 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -139.51 176.45 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 p -112.24 114.1 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.46 176.4 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.96 179.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.698 HD23 ' HB3' ' A' ' 63' ' ' ASP . 9.5 mt -93.34 141.36 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp 61.52 37.31 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 5.8 mtpt -147.06 38.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -134.27 104.23 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 112.73 16.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 58.5 m-85 -83.93 151.57 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.663 HG21 ' CG2' ' A' ' 26' ' ' VAL . 15.8 m -155.88 166.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' A' ' 49' ' ' LEU . 28.1 mttp -68.32 118.52 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.545 ' CD2' HG11 ' A' ' 48' ' ' VAL . 9.3 tp -58.96 -33.56 70.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -64.06 -26.39 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 m -103.12 31.01 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 m -114.48 138.87 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 145.08 32.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.787 ' HA ' HD21 ' A' ' 18' ' ' LEU . 50.7 Cg_exo -53.74 125.75 19.64 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.471 2.114 . . . . 0.0 112.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 8.9 t0 -101.99 130.49 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.665 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -88.29 -75.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.45 ' NH1' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.173 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -65.6 145.63 55.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 p -86.93 97.94 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.49 -158.04 8.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.06 -39.77 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.97 126.39 39.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.8 -142.27 11.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt 65.23 39.39 5.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.85 0.357 . . . . 0.0 110.769 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.0 128.43 54.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.078 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.5 mtp -136.84 69.9 58.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.4 Cg_exo -55.25 -45.52 39.7 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.478 2.118 . . . . 0.0 112.439 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 33.9 Cg_exo -59.51 -19.4 51.9 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.34 2.026 . . . . 0.0 111.984 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.08 -93.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -105.67 -53.1 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -176.99 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -165.65 -58.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.56 64.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 87' ' ' CYS . 7.6 mt -108.32 110.7 22.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -141.56 174.63 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.7 t -62.51 133.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.4 -29.56 11.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -86.52 150.0 24.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HB ' ' A' ' 35' ' ' VAL . 11.1 mt -82.75 143.82 30.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.59 169.44 17.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -132.65 145.47 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.537 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.3 t -109.75 139.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 94.06 9.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -141.99 -177.93 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.13 -59.58 13.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.16 109.57 2.85 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.28 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.99 104.56 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.325 2.017 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -128.73 169.34 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 92' ' ' ARG . 18.4 m-85 -132.29 138.25 47.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 160.22 30.55 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.576 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.4 p -102.14 148.33 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.627 HG21 HD11 ' A' ' 39' ' ' ILE . 35.2 mt -67.03 146.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 20' ' ' VAL . 17.9 mmm180 -128.93 -64.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.457 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.4 t90 -122.82 134.74 54.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 36' ' ' ILE . 34.7 mt -126.76 105.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.54 -172.07 32.5 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.83 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -126.08 114.87 24.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.522 0.201 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.35 159.77 15.19 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.479 2.12 . . . . 0.0 112.341 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.14 87.6 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.524 2.149 . . . . 0.0 112.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.36 -50.49 0.43 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.587 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.835 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.36 112.68 18.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 110.833 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.23 107.81 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.556 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.835 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.65 121.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 84' ' ' LEU . 18.8 t -64.6 101.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.841 0.353 . . . . 0.0 110.559 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.5 114.03 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.11 114.97 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.99 113.75 5.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -104.4 130.54 52.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 108.57 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.77 133.83 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -68.68 -34.38 75.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.21 136.55 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.13 101.07 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.75 135.39 47.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.07 119.3 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.1 -28.35 3.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 m -79.19 175.49 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.7 p -110.1 -177.78 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.539 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.2 p30 -98.88 31.23 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 79' ' ' ALA . . . 92.82 40.61 4.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.466 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.529 HG22 ' HB2' ' A' ' 70' ' ' ARG . 18.0 p -130.87 119.04 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -111.35 120.56 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 59.85 31.03 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.71 27.43 67.19 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -133.97 94.38 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HB2' HG22 ' A' ' 65' ' ' THR . 0.8 OUTLIER -63.76 125.23 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 47.4 m-85 -100.12 -36.41 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 22.6 p90 -139.42 177.77 7.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.798 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 m -111.9 114.23 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.52 178.61 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.495 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -69.95 173.86 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.9 mt -84.93 138.48 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt 60.97 40.01 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 11.2 mtpt -149.17 37.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HB3' ' H ' ' A' ' 64' ' ' GLY . . . -144.48 105.1 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.58 119.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -85.76 139.16 31.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.537 HG21 ' CG2' ' A' ' 26' ' ' VAL . 17.8 m -147.73 165.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -69.26 120.25 14.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 48' ' ' VAL . 11.2 tp -58.46 -34.73 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -64.09 -26.12 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 m -102.94 31.27 4.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.508 ' HB2' HD13 ' A' ' 18' ' ' LEU . 27.5 m -108.5 159.66 16.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -132.2 135.29 26.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.3 130.63 40.76 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.423 2.082 . . . . 0.0 112.253 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -103.06 107.19 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.613 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.68 30.67 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 24.3 mtp85 -66.71 -30.54 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -123.55 30.38 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.613 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -95.33 122.81 38.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.764 ' O ' HD12 ' A' ' 96' ' ' LEU . 27.4 t -110.79 152.08 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 95' ' ' SER . 3.1 mp -139.43 101.86 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 60.56 87.65 0.13 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.08 -28.27 32.18 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.596 2.197 . . . . 0.0 112.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 m -134.88 152.64 51.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -70.77 -62.23 3.71 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.537 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.99 107.67 1.95 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.581 2.187 . . . . 0.0 112.291 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.7 p -86.33 -34.65 20.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.59 105.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.508 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -75.32 161.22 29.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -75.3 -43.17 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.03 145.67 19.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -169.05 89.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -92.44 94.18 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.83 34.57 4.69 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -104.31 -32.91 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.21 142.2 46.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.5 mtt -142.11 91.61 7.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.6 Cg_exo -57.7 -46.81 24.35 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.368 2.045 . . . . 0.0 112.423 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 49.6 Cg_exo -55.39 -22.28 33.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.245 1.963 . . . . 0.0 111.985 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.14 51.12 0.86 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 62.97 -79.81 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.765 0.317 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -142.14 -47.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -128.39 -45.53 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.98 62.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mt -80.06 97.66 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 36' ' ' ILE . 5.3 pt-20 -138.3 179.57 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 37' ' ' ARG . 29.5 t -61.22 135.97 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.43 6.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.381 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.63 149.44 25.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.486 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.6 mt -84.65 137.29 33.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.51 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.52 143.64 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 27' ' ' LYS . 20.6 t -98.32 158.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG12 ' A' ' 26' ' ' VAL . 26.1 mmtt -94.98 48.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.54 175.38 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.419 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 2.1 m-80 -59.82 -58.0 22.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 74.0 Cg_endo -75.6 109.77 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.586 2.191 . . . . 0.0 112.367 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 46.1 Cg_endo -68.28 83.28 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.423 2.082 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -101.04 173.05 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -133.87 128.12 33.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.65 175.52 26.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.6 p -120.12 142.34 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 39' ' ' ILE . 35.8 mt -63.77 136.75 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 20' ' ' VAL . 24.1 mmm180 -120.82 -63.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.45 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.5 t90 -124.37 133.02 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 36' ' ' ILE . 39.0 mt -124.6 105.98 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.604 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.24 30.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.837 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -128.09 115.07 20.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.521 0.201 . . . . 0.0 110.767 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.43 159.53 16.05 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.507 2.138 . . . . 0.0 112.266 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.1 87.3 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.558 2.172 . . . . 0.0 112.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.05 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.821 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.24 112.67 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.674 0.273 . . . . 0.0 110.848 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -73.13 107.86 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.821 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.86 121.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.795 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.68 99.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.82 0.343 . . . . 0.0 110.591 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.4 mt -106.84 114.59 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.02 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.54 106.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -94.47 128.76 41.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -96.01 111.6 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.65 138.5 50.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.28 -31.67 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.79 127.32 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.01 101.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.47 121.1 43.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 123.39 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.34 2.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -90.77 174.92 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -103.0 -170.27 1.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.548 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.6 p30 -104.9 31.33 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.32 46.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.9 p -135.9 122.51 20.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' A' ' 49' ' ' LEU . 9.4 t80 -109.69 117.43 33.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 60.3 35.97 20.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.88 65.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -133.52 107.28 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -71.82 122.35 20.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 20.4 m-85 -103.2 -41.15 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 48.4 p90 -135.53 172.33 13.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -108.78 114.21 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.59 -176.79 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -76.26 165.15 25.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.8 mt -77.3 141.95 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 62.6 39.6 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 10.2 mtpt -150.58 40.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.46 109.4 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 tp -124.33 108.25 12.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -81.41 133.67 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.416 HG21 HG21 ' A' ' 26' ' ' VAL . 17.1 m -148.9 167.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -66.01 123.04 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 50' ' ' ALA . 18.4 tp -58.89 -35.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -64.08 -25.62 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 m -97.52 34.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 65.0 m -115.99 160.16 20.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.2 144.25 50.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.47 122.42 11.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.487 2.124 . . . . 0.0 112.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -103.06 101.97 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.1 t -98.66 30.92 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -64.49 -30.81 71.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -107.4 30.85 5.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.472 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -58.76 122.01 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -106.69 153.77 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -171.52 99.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 60.58 162.7 0.1 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 125.8 12.6 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.505 2.137 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.54 -54.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.79 -162.68 30.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.96 -45.74 1.38 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.507 2.138 . . . . 0.0 112.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 m -145.87 77.18 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.66 -71.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.41 -1.216 . . . . 0.0 112.465 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -67.14 -62.76 1.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 m -61.33 134.13 56.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.27 125.85 2.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -90.53 157.15 17.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -77.06 114.35 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.04 87.53 0.47 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.08 -35.28 74.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.25 33.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -177.87 72.13 0.22 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.6 Cg_exo -57.5 -47.18 22.91 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.596 2.197 . . . . 0.0 112.592 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 93.0 Cg_endo -81.0 -37.81 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.439 2.093 . . . . 0.0 112.364 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.54 42.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.418 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -126.61 145.96 50.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.0 t -60.6 -43.11 97.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -158.36 -51.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.56 54.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.598 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt -77.73 97.2 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -137.07 -179.03 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 37' ' ' ARG . 38.4 t -58.48 131.55 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.12 -30.74 8.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -81.19 137.53 35.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.656 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.9 mt -72.38 151.02 42.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.31 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -132.29 157.13 45.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 82' ' ' VAL . 21.6 t -120.29 148.14 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -90.82 83.93 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -131.36 -178.15 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.75 -58.83 13.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.91 109.61 2.88 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.64 2.226 . . . . 0.0 112.242 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.86 90.55 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.381 2.054 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.7 p90 -112.45 172.99 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -135.0 137.17 42.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.75 172.94 34.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.656 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -115.98 146.75 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.6 HG23 ' HB1' ' A' ' 50' ' ' ALA . 36.2 mt -63.43 147.8 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.589 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mmp_? -130.61 -66.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 46.0 t90 -121.66 130.08 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.586 HD11 HG21 ' A' ' 36' ' ' ILE . 22.0 mt -120.91 105.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.646 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.25 -172.33 32.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.713 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -125.84 115.49 24.47 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.523 0.201 . . . . 0.0 110.702 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -57.45 159.59 15.94 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.482 2.122 . . . . 0.0 112.293 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.82 87.44 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.588 2.192 . . . . 0.0 112.309 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.3 -50.63 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.575 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.856 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.35 113.37 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.746 0.308 . . . . 0.0 110.913 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.58 108.01 6.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.886 0.374 . . . . 0.0 110.477 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.856 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.63 121.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.547 HG11 HD23 ' A' ' 84' ' ' LEU . 25.0 t -63.77 100.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 66' ' ' PHE . 27.2 mt -106.52 114.8 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.93 114.97 27.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.39 104.78 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.596 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.49 146.16 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.4 104.86 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 32' ' ' PHE . 57.7 mt -66.13 140.62 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.9 -31.62 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.41 125.26 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.57 99.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 t -96.13 124.96 40.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.18 112.33 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.85 -28.35 2.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.2 m -76.26 178.23 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -109.43 -178.3 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -106.6 35.58 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.13 44.55 2.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -135.17 129.4 33.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.518 ' CE2' HD13 ' A' ' 49' ' ' LEU . 14.0 t80 -122.63 122.29 38.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 60.39 31.26 20.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.51 63.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -133.5 112.77 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -65.77 123.73 20.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 7.4 m-85 -107.86 -44.25 4.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -143.37 162.31 36.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 p -99.73 116.57 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -140.75 179.47 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -69.09 156.71 38.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.43 139.4 51.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp 61.24 39.25 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.621 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.0 mtpt -149.1 40.52 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.74 109.27 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.8 tp -123.89 106.3 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 69.9 m-85 -77.28 142.22 39.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 26' ' ' VAL . 16.4 m -155.98 166.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HA ' HD23 ' A' ' 49' ' ' LEU . 16.2 mttt -68.71 123.55 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.547 HD23 HG11 ' A' ' 48' ' ' VAL . 27.6 tp -59.74 -33.05 71.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.91 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -99.87 31.63 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 83.4 m -115.97 135.53 53.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.08 145.06 33.29 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.43 136.38 56.05 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.295 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -99.54 119.93 38.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.627 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.7 30.66 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.59 -30.62 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -123.5 30.6 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.627 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -96.73 129.05 44.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p -88.21 113.28 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -129.56 63.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.78 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.2 OUTLIER -73.18 -60.49 1.76 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 97' ' ' GLN . 60.5 Cg_endo -72.99 -45.19 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.512 2.142 . . . . 0.0 112.344 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.43 -168.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.52 147.82 27.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.95 123.36 9.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.59 2.194 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -164.41 -66.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.57 -36.43 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.482 -1.177 . . . . 0.0 112.46 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -102.74 35.83 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -128.54 177.2 7.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.75 -66.8 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.529 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -163.29 -174.99 4.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -89.55 152.49 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.14 -125.06 5.54 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mp 59.96 82.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.875 0.369 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.75 58.9 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.83 64.72 0.51 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.7 Cg_exo -58.33 -47.43 19.68 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.517 2.145 . . . . 0.0 112.386 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 45.2 Cg_exo -55.95 -22.39 38.17 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.29 1.994 . . . . 0.0 112.073 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.9 -154.09 17.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.52 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 60.17 -177.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.3 p -69.31 -61.34 1.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.49 -72.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.83 57.85 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.4 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 87' ' ' CYS . 15.5 mt -91.32 107.44 19.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 pt-20 -135.76 -178.42 5.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.3 t -62.74 133.31 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.98 -39.93 2.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.556 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -78.84 147.99 32.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 10.4 mt -83.69 144.83 29.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 87' ' ' CYS . . . -144.45 137.54 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.07 130.14 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.771 HG21 HG21 ' A' ' 82' ' ' VAL . 21.2 t -95.67 143.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -85.32 57.6 4.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.2 -177.48 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.87 -59.2 13.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.1 109.57 2.85 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.626 2.217 . . . . 0.0 112.277 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.28 91.31 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.273 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -117.17 172.53 7.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 92' ' ' ARG . 11.7 m-85 -132.1 119.42 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -136.47 169.31 23.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 p -112.57 143.86 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.739 HG21 HD11 ' A' ' 39' ' ' ILE . 41.3 mt -65.95 132.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.552 ' O ' HG13 ' A' ' 20' ' ' VAL . 18.7 mmm180 -116.27 -62.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.495 ' CE2' ' CE1' ' A' ' 71' ' ' TYR . 54.0 t90 -124.96 133.14 53.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.739 HD11 HG21 ' A' ' 36' ' ' ILE . 20.6 mt -123.88 106.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.716 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.23 -168.01 27.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.785 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.52 114.99 21.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.593 0.235 . . . . 0.0 110.681 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.5 159.57 16.17 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.402 2.068 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.73 87.5 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.6 2.2 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.07 0.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.579 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.861 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.25 112.32 18.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.656 0.265 . . . . 0.0 110.767 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.29 107.92 5.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 110.545 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.861 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.75 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.748 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.481 HG11 HD23 ' A' ' 84' ' ' LEU . 20.2 t -64.46 97.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.73 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 66' ' ' PHE . 11.5 mt -106.67 115.84 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.681 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.01 114.98 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.85 107.79 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.47 132.92 40.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -101.51 105.33 16.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.98 134.35 52.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.31 -30.79 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.7 150.16 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -86.64 107.98 18.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.5 m -108.17 141.46 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 113.26 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.45 -28.31 3.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.18 162.13 29.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.93 -176.85 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.623 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.4 p30 -103.1 34.28 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.8 41.67 3.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.545 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.3 p -143.97 120.11 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 49' ' ' LEU . 7.3 t80 -92.19 98.85 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 59.73 29.23 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.39 -24.81 27.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 m -77.44 94.52 4.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.796 0.332 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -69.75 128.43 36.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CE1' ' CE2' ' A' ' 38' ' ' TRP . 60.9 m-85 -115.54 -42.18 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 11.9 p90 -138.99 -179.38 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.93 105.2 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 m -127.73 172.72 10.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.581 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.77 177.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 63' ' ' ASP . 9.3 mt -86.93 137.99 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 61.28 40.04 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.4 mtpt -147.14 36.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.62 99.28 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tp -113.01 124.79 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m-85 -97.04 132.69 42.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.771 HG21 HG21 ' A' ' 26' ' ' VAL . 28.6 m -146.78 166.99 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.3 mttt -66.37 124.59 23.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.481 HD23 HG11 ' A' ' 48' ' ' VAL . 45.3 tp -59.85 -30.62 69.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.961 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -26.28 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -97.23 31.19 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.453 ' HB2' HD13 ' A' ' 18' ' ' LEU . 91.7 m -116.09 152.42 33.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.46 145.05 55.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.28 116.87 3.24 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.5 2.133 . . . . 0.0 112.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 1.9 t70 -102.99 110.83 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.629 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -111.21 27.41 9.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.962 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.415 ' HD3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.2 -29.99 70.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.816 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 93' ' ' PHE . 7.2 m-85 -117.06 30.08 7.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -57.77 122.0 11.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.0 m -65.6 153.66 40.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 tt 60.64 97.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 4.5 tt0 -149.97 54.27 1.5 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 97' ' ' GLN . 58.4 Cg_endo -71.78 -168.54 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.576 2.184 . . . . 0.0 112.269 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 m -163.91 136.26 5.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.01 89.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.573 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.11 -41.87 3.48 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.585 2.19 . . . . 0.0 112.26 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m 61.02 156.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 p -108.56 122.91 48.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -1.3 . . . . 0.0 112.479 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 60.79 77.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m 60.41 -177.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.03 -172.97 49.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.525 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 60.74 -177.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -70.66 -176.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.72 -173.78 17.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -129.45 160.03 34.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.81 29.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.59 81.33 1.3 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 44.4 Cg_exo -53.54 -44.97 44.53 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.386 2.057 . . . . 0.0 112.345 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 24.7 Cg_exo -62.86 -20.92 72.57 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.327 2.018 . . . . 0.0 111.947 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.6 174.17 21.64 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.562 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -76.51 -55.72 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.6 t -135.46 -47.11 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -153.58 -47.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.01 55.09 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.43 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 24' ' ' ALA . 21.8 mt -107.08 103.29 12.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -145.39 178.65 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 37' ' ' ARG . 25.1 t -57.4 135.51 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.06 -39.93 2.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.5 m -75.13 152.12 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 ' HB ' ' A' ' 35' ' ' VAL . 8.6 mt -84.62 150.95 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.461 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . . . -151.57 164.59 36.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -132.26 143.45 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 82' ' ' VAL . 21.5 t -107.69 148.53 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.68 79.95 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -125.42 -177.91 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.67 -59.16 13.45 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 72.1 Cg_endo -77.0 109.64 2.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.297 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 53.7 Cg_endo -69.62 87.14 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.442 2.095 . . . . 0.0 112.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -107.87 169.82 8.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.39 124.75 32.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.44 171.79 25.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.765 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.6 p -118.31 146.21 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 111.071 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.762 HG21 HD11 ' A' ' 39' ' ' ILE . 43.4 mt -66.29 135.05 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.646 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -118.77 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.972 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.455 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.2 t90 -123.28 132.63 54.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 36' ' ' ILE . 22.0 mt -125.0 105.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.578 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -169.87 28.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.794 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -127.29 114.83 21.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.53 0.205 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.47 159.63 15.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.472 2.115 . . . . 0.0 112.309 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.88 87.63 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.21 -50.92 0.42 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.18 112.3 18.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.644 0.259 . . . . 0.0 110.837 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.35 107.91 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.979 0.419 . . . . 0.0 110.536 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.84 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.74 120.95 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.486 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -63.61 100.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.831 0.348 . . . . 0.0 110.715 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.609 HD13 ' CE2' ' A' ' 66' ' ' PHE . 22.6 mt -106.61 114.05 27.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.755 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.0 114.96 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.038 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.45 6.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.6 138.23 41.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -105.08 108.04 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.08 137.63 45.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.02 -31.63 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -90.93 124.51 35.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -62.99 100.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.94 123.9 37.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 110.02 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.57 -29.1 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.552 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.0 m -71.55 175.76 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 3.4 p -103.74 176.99 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.621 ' HB3' HD23 ' A' ' 76' ' ' LEU . 4.6 p-10 -106.73 31.59 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.06 41.19 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.585 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.591 HG22 ' HB2' ' A' ' 70' ' ' ARG . 40.9 p -143.72 126.67 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.609 ' CE2' HD13 ' A' ' 49' ' ' LEU . 21.8 t80 -109.72 110.36 21.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 60.36 37.64 20.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.27 28.22 58.44 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.547 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 m -133.91 95.69 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.591 ' HB2' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -66.68 127.36 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 27.2 m-85 -109.83 -30.78 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -147.0 -178.09 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 m -117.12 115.27 25.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.0 m -139.14 178.42 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -64.87 -178.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.621 HD23 ' HB3' ' A' ' 63' ' ' ASP . 33.3 mt -92.37 138.27 31.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm 61.63 39.84 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.61 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 42.0 mtpt -148.6 36.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -138.27 100.56 4.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.8 tp -120.71 122.64 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -90.23 149.19 22.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 26' ' ' VAL . 25.0 m -156.54 166.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.455 ' HA ' HD23 ' A' ' 49' ' ' LEU . 19.6 mttt -68.47 122.27 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' CD2' HG11 ' A' ' 48' ' ' VAL . 16.5 tp -60.04 -33.05 71.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.89 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -99.71 31.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.6 m -115.96 160.51 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -137.45 141.11 32.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 135.35 66.64 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.487 2.124 . . . . 0.0 112.241 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -99.52 119.51 38.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.598 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.66 33.51 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -66.43 -30.21 70.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -132.11 35.57 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.598 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -93.78 129.31 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.8 p -88.86 129.3 35.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.5 mt -164.05 121.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -139.88 94.87 8.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.06 -28.55 19.56 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.543 2.162 . . . . 0.0 112.374 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.84 132.73 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.72 149.46 19.54 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.66 62.47 2.98 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.595 2.197 . . . . 0.0 112.287 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.3 t -90.96 -63.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.8 m -160.54 162.55 33.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.51 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -140.31 -48.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -84.21 -59.68 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.13 94.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.599 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -135.88 143.51 45.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -126.61 30.35 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.94 116.16 1.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.6 -78.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.53 73.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.17 64.91 0.23 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.1 Cg_exo -58.11 -46.92 22.49 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.502 2.135 . . . . 0.0 112.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 48.4 Cg_exo -55.42 -22.39 33.92 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.295 1.996 . . . . 0.0 112.068 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.26 -25.44 12.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.637 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -58.28 -171.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.964 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 t -72.24 -70.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -105.94 -38.13 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 55.02 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.16 98.18 0.77 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.36 179.24 7.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 37' ' ' ARG . 24.6 t -59.31 124.72 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 -35.86 4.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.593 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -76.33 142.24 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.488 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.4 mt -73.74 150.95 40.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 159.61 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -123.51 145.95 48.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.73 145.7 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.065 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 78.35 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.53 -170.25 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.24 -58.61 1.9 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.87 111.52 2.97 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.296 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.34 106.98 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.499 2.133 . . . . 0.0 112.235 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.491 ' HB2' HD22 ' A' ' 54' ' ' LEU . 10.7 p90 -135.15 143.25 46.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.04 144.62 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.65 158.95 29.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.3 p -106.83 141.09 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.747 HG21 HD11 ' A' ' 39' ' ' ILE . 36.2 mt -61.59 134.85 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.672 ' O ' HG13 ' A' ' 20' ' ' VAL . 31.5 mmm180 -118.6 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CE2' ' CD1' ' A' ' 71' ' ' TYR . 49.0 t90 -125.08 131.67 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.747 HD11 HG21 ' A' ' 36' ' ' ILE . 22.9 mt -122.67 105.96 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.66 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.4 -169.38 28.94 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.79 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.3 115.27 21.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.495 0.188 . . . . 0.0 110.715 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.4 159.64 15.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.447 2.098 . . . . 0.0 112.289 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.82 87.5 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.549 2.166 . . . . 0.0 112.369 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.17 -50.66 0.43 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.85 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.27 112.34 18.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.763 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -73.31 107.92 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.394 . . . . 0.0 110.539 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.85 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.7 121.01 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.4 t -63.63 100.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.676 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.5 mt -107.49 115.61 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.88 114.92 27.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.44 103.54 1.27 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.03 142.85 27.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -111.99 108.94 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 32' ' ' PHE . 14.8 mt -66.05 134.95 53.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -65.26 -33.32 75.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.91 151.49 20.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -87.87 104.72 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.3 t -105.96 121.32 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 135.56 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.17 -28.52 7.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.1 m -82.77 -179.9 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -110.23 -175.45 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -103.99 33.22 3.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.84 40.18 3.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.61 118.97 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 49' ' ' LEU . 6.5 t80 -98.03 101.36 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 59.23 29.12 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.28 -20.47 49.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.704 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -86.79 96.91 10.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -72.9 123.9 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CD1' ' CE2' ' A' ' 38' ' ' TRP . 67.5 m-85 -102.65 -42.75 5.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 30.3 p90 -135.81 168.27 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -106.98 109.04 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.81 173.08 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -62.09 171.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.65 135.68 36.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp 61.48 47.17 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 9.3 mtpt -153.76 38.1 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.02 106.67 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.1 tp -123.51 108.78 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.1 m-85 -80.1 139.54 36.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.8 m -151.28 166.97 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -65.95 121.93 16.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.48 ' CD2' HG11 ' A' ' 48' ' ' VAL . 15.9 tp -59.17 -33.32 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -26.73 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 m -98.31 29.73 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 21.1 m -116.0 150.61 36.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.1 145.03 55.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 128.11 28.29 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.514 2.142 . . . . 0.0 112.248 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -100.24 102.33 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.577 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -97.79 25.87 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -64.86 -29.69 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -113.07 27.38 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.577 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -72.75 129.4 38.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.7 m -72.74 115.92 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.9 mt -149.74 82.45 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -123.99 151.64 65.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.93 173.81 10.58 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.568 2.179 . . . . 0.0 112.29 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.0 m -120.49 120.39 35.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.21 165.97 24.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.22 106.05 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.6 2.2 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.3 t -158.51 157.63 32.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.0 p -169.05 113.48 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.546 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -107.24 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -121.92 35.08 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.1 174.19 42.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.569 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.66 34.01 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -106.5 154.97 20.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.39 -130.16 9.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mt -124.3 123.91 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.57 158.34 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.2 mtp -157.65 87.65 2.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.2 Cg_exo -58.1 -47.15 21.37 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.549 2.166 . . . . 0.0 112.365 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 48.4 Cg_exo -55.39 -22.08 32.39 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.292 1.994 . . . . 0.0 112.104 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.08 63.51 0.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 59.97 50.61 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.5 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -133.67 -58.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.33 60.97 0.2 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mt -90.17 107.36 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -145.27 178.06 8.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 37' ' ' ARG . 36.5 t -58.41 138.05 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.47 2.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -75.52 141.77 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.647 HD23 ' HB ' ' A' ' 35' ' ' VAL . 8.8 mt -70.88 148.21 48.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.564 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -150.45 153.22 35.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.3 tt0 -120.14 153.67 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.763 HG21 HG21 ' A' ' 82' ' ' VAL . 28.5 t -124.35 135.69 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -75.91 81.54 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -125.69 177.35 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.07 -58.73 17.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.27 109.73 2.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.94 85.38 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.371 2.047 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 14.7 p90 -106.88 172.8 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 10.9 m-85 -140.05 115.67 10.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.55 -174.14 13.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.574 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.647 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.4 p -125.73 145.74 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 111.062 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' HB1' ' A' ' 50' ' ' ALA . 41.3 mt -60.43 153.01 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mmp_? -135.44 -67.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.49 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 45.8 t90 -120.64 130.95 54.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 36' ' ' ILE . 13.4 mt -122.03 105.99 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.514 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.19 -168.56 27.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.818 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -129.57 115.37 18.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.552 0.215 . . . . 0.0 110.761 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.58 159.52 16.56 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.344 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.03 87.72 0.85 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.593 2.195 . . . . 0.0 112.23 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.4 -50.06 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.556 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.862 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.28 112.16 18.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.29 . . . . 0.0 110.829 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.12 107.72 5.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 110.58 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.862 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.98 124.13 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.421 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -67.41 101.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.669 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 mt -108.15 116.09 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.31 102.32 1.16 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.574 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 24' ' ' ALA . 56.7 mt -88.33 144.25 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.7 111.76 22.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 13.2 mt -68.56 152.44 45.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.21 -31.71 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -98.15 126.76 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -68.88 96.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 t -105.69 128.45 53.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.65 121.01 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 138.42 -28.18 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.569 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.4 m -87.08 167.82 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.54 -176.93 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.47 31.38 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.32 37.83 3.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.479 HG22 ' CA ' ' A' ' 70' ' ' ARG . 3.1 p -136.56 119.0 15.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -99.81 106.79 18.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 60.7 40.43 16.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 28.36 60.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.5 m -132.74 93.91 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CA ' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -61.22 134.45 57.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.49 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -117.45 -39.17 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -141.58 -178.38 5.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.4 t -116.71 112.92 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.6 m -144.05 175.43 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -64.31 154.56 34.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.06 147.55 44.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt 61.92 33.28 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.504 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 13.3 mtpt -147.61 38.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.06 100.33 3.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.424 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tp -115.06 108.75 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 82' ' ' VAL . 95.3 m-85 -77.66 144.1 37.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.763 HG21 HG21 ' A' ' 26' ' ' VAL . 16.7 m -157.37 166.13 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -70.2 123.95 22.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 48' ' ' VAL . 17.7 tp -58.96 -36.16 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -25.66 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.5 m -100.55 31.19 3.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 99.6 m -112.28 150.32 31.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 mmt-85 -123.37 141.85 37.21 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.65 126.93 24.03 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.525 2.15 . . . . 0.0 112.23 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.93 98.34 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.649 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.3 29.72 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -66.33 -30.42 70.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -123.02 30.5 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.996 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.649 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -98.77 122.61 42.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 97.8 p -71.22 107.89 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -151.84 -46.44 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -60.73 1.51 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.04 -171.25 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.524 2.149 . . . . 0.0 112.297 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.79 83.31 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.04 156.49 50.4 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 178.17 4.96 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.575 2.183 . . . . 0.0 112.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -126.84 -48.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -155.12 -59.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.543 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 112.72 6.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -80.67 106.93 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.93 178.7 33.18 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.59 168.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.65 94.23 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.34 75.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -117.89 150.97 38.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.79 36.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -164.07 65.79 1.36 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.7 Cg_exo -58.59 -47.36 19.27 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.556 2.171 . . . . 0.0 112.463 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 51.3 Cg_exo -55.1 -22.52 31.93 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.244 1.963 . . . . 0.0 112.041 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.69 -55.15 0.72 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -145.17 97.52 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.31 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.29 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -124.26 -43.92 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.9 71.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 mt -100.17 111.48 23.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -142.69 174.04 11.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.4 t -59.48 132.1 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.24 -35.09 5.25 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.0 m -80.22 151.69 29.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.328 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 35' ' ' VAL . 5.9 mt -79.88 150.98 30.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -150.45 156.39 41.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -131.06 144.07 51.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 27' ' ' LYS . 20.3 t -104.0 158.85 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -98.05 37.04 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -79.36 177.73 8.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.67 -58.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 73.0 Cg_endo -76.39 109.67 2.91 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.587 2.191 . . . . 0.0 112.317 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 48.4 Cg_endo -68.7 86.91 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.406 2.071 . . . . 0.0 112.282 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -106.56 171.83 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -132.67 135.4 45.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.17 -162.72 11.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -140.95 148.42 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.0 111.064 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.732 HG21 HD11 ' A' ' 39' ' ' ILE . 38.3 mt -64.98 137.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.587 ' O ' HG13 ' A' ' 20' ' ' VAL . 28.0 mmm180 -121.76 -60.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.465 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.5 t90 -128.33 133.52 48.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.732 HD11 HG21 ' A' ' 36' ' ' ILE . 21.6 mt -124.39 106.03 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.639 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.01 -168.39 28.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.724 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -127.3 114.86 21.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.503 0.192 . . . . 0.0 110.688 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.69 159.65 16.61 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.485 2.123 . . . . 0.0 112.251 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.76 87.87 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.519 2.146 . . . . 0.0 112.28 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -51.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.528 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.859 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.695 0.283 . . . . 0.0 110.751 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.27 107.92 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.859 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.81 120.94 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.775 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.578 HG11 HD23 ' A' ' 84' ' ' LEU . 21.4 t -63.71 98.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 83' ' ' LYS . 10.2 mt -106.98 115.21 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.96 114.94 27.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.041 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.76 111.43 3.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 24' ' ' ALA . 74.0 mt -97.99 130.7 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.34 108.55 21.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mt -66.09 148.42 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.11 -32.72 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -100.39 148.33 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.73 83.76 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.3 m -77.24 126.52 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.77 114.15 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.66 -28.33 2.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.0 m -82.26 173.82 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 71.2 p -105.18 -177.21 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.601 ' HB3' HD23 ' A' ' 76' ' ' LEU . 4.6 p-10 -98.56 31.55 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.79 43.52 2.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 70' ' ' ARG . 40.2 p -137.7 119.04 14.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -102.18 107.83 19.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 59.72 39.9 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.31 28.34 64.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.4 m -130.73 94.03 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HB2' HG22 ' A' ' 65' ' ' THR . 1.2 ttt180 -70.06 120.22 15.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.428 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 49.9 m-85 -101.3 -34.92 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 21.0 p90 -140.69 -178.48 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 73' ' ' THR . 6.9 t -114.47 114.91 26.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -141.13 171.55 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -63.54 179.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 63' ' ' ASP . 4.5 mt -91.94 142.65 27.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp 61.55 35.99 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.641 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 32.9 mtpt -147.18 36.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -139.54 105.82 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.8 tp -124.01 114.21 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.796 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -84.58 141.63 30.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 26' ' ' VAL . 16.9 m -153.62 166.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.6 mttp -64.61 131.21 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 HG11 ' A' ' 48' ' ' VAL . 33.8 tp -70.47 -31.71 68.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -27.51 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.0 m -104.23 31.76 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.28 135.33 47.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.18 126.8 30.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.02 127.47 25.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.298 1.999 . . . . 0.0 112.311 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -102.32 102.3 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.542 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -98.73 30.42 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -66.55 -29.06 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -131.59 30.16 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.542 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -101.31 122.03 42.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.047 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.7 t -68.25 133.47 48.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.4 mt -143.41 122.71 13.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.64 103.96 18.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.72 136.6 21.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.452 2.101 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -95.26 -44.67 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.56 -150.36 5.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.23 -35.34 14.39 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.591 2.194 . . . . 0.0 112.263 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 p -176.26 -49.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -168.77 172.88 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.448 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -62.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -59.81 156.16 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.5 170.59 0.39 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.73 -64.7 0.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.769 0.319 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 67.82 92.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.57 -44.7 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.446 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mt -107.08 82.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.69 130.55 23.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.4 ttm -134.04 90.32 26.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.478 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.8 Cg_exo -55.8 -45.85 35.91 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.507 2.138 . . . . 0.0 112.332 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 31.6 Cg_exo -58.54 -20.19 48.39 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.278 1.985 . . . . 0.0 112.02 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.16 -143.43 1.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -86.87 -46.09 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.1 p -175.18 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.66 -48.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.811 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.48 61.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -102.34 111.49 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -141.56 178.98 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ARG . 23.0 t -58.56 141.36 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.39 -38.32 3.15 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . 12.9 m -82.57 158.17 23.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -90.84 150.26 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.39 158.07 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.6 tt0 -119.94 148.73 43.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.4 t -111.87 148.8 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -92.24 83.02 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.24 -168.77 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 2.1 m-80 -75.71 -58.6 1.35 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.5 Cg_endo -79.03 111.3 2.91 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.656 2.238 . . . . 0.0 112.354 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.05 109.36 0.92 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.416 2.077 . . . . 0.0 112.23 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' A' ' 54' ' ' LEU . 2.9 p90 -132.52 164.85 25.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 30.8 m-85 -133.32 137.99 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.87 174.17 32.43 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.545 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 22' ' ' SER . 11.8 p -117.56 139.79 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.685 HG23 ' HB1' ' A' ' 50' ' ' ALA . 36.0 mt -60.51 136.44 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -121.67 -64.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.486 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 46.5 t90 -120.15 131.31 54.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.648 HD11 HG21 ' A' ' 36' ' ' ILE . 37.5 mt -122.08 106.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.574 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.35 -168.13 27.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.786 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -127.62 115.3 21.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.502 0.191 . . . . 0.0 110.783 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.43 159.87 15.23 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.497 2.132 . . . . 0.0 112.27 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.95 87.56 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.552 2.168 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.07 -50.87 0.43 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.621 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 112.6 18.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.268 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -73.46 107.87 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.489 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.6 pt-20 -166.87 121.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.724 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.2 t -63.16 99.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.66 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 83' ' ' LYS . 12.4 mt -108.24 117.25 33.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.685 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.98 27.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 105.01 1.44 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.443 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.49 143.41 26.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -109.47 109.68 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 32' ' ' PHE . 13.6 mt -67.46 135.15 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.6 -35.23 78.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.23 134.23 46.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -60.14 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.3 t -86.38 123.95 32.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 117.16 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.45 42.32 1.5 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.5 m -136.63 169.91 16.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -104.19 -179.29 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.55 ' HB3' HD23 ' A' ' 76' ' ' LEU . 13.3 p-10 -107.87 31.4 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.63 28.7 5.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.43 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 p -128.42 119.04 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -107.62 115.29 29.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 60.22 36.42 20.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.39 65.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.555 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.2 m -133.86 94.43 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 134.06 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.486 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 26.4 m-85 -115.63 -38.4 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -139.14 -178.95 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.58 107.66 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.47 -177.88 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.633 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -71.61 161.56 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 63' ' ' ASP . 2.4 mt -76.83 144.7 38.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 60.44 35.93 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.633 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.2 mtpt -148.69 38.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.51 101.67 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.5 tp -117.21 113.54 22.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -84.13 139.12 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 26' ' ' VAL . 19.8 m -148.76 166.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.0 mttt -68.23 122.51 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' HG11 ' A' ' 48' ' ' VAL . 11.5 tp -58.82 -38.61 79.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -63.98 -24.64 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -101.32 33.88 2.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.4 m -113.25 145.66 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -117.46 141.94 29.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.27 126.79 23.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.473 2.115 . . . . 0.0 112.329 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -103.04 102.19 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.617 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -98.7 30.72 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.39 -30.59 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -116.12 27.6 9.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.617 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -102.04 125.42 48.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.191 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 m -94.14 134.64 36.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.7 tp -165.01 126.44 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.986 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -112.73 150.57 42.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.17 -177.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.32 -64.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.11 93.6 2.31 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -50.76 125.04 14.8 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.581 2.187 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m 60.75 74.5 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.9 m -81.38 156.29 25.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.535 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -106.84 132.92 52.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.09 91.56 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.26 161.49 35.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -155.63 -48.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 p -84.41 156.3 21.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.53 45.86 0.18 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -111.87 33.53 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.44 45.64 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.453 ' N ' ' HD3' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -139.72 61.06 17.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 10' ' ' MET . 32.6 Cg_exo -59.38 -47.88 15.43 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.406 2.071 . . . . 0.0 112.805 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 85.1 Cg_endo -83.23 -44.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.483 2.122 . . . . 0.0 112.758 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.28 -139.31 6.14 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.785 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -142.2 140.85 32.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.39 -78.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -105.43 -42.98 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.98 59.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 89' ' ' PRO . 35.2 mt -84.69 102.27 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 37' ' ' ARG . 24.0 t -58.58 136.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.58 -38.53 3.09 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.04 148.88 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD23 ' HB ' ' A' ' 35' ' ' VAL . 7.1 mt -83.7 149.22 26.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.52 146.45 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -110.53 154.31 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 82' ' ' VAL . 21.5 t -115.31 152.82 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.23 106.85 18.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.29 -169.66 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.28 -58.52 1.9 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 109.54 2.81 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.67 117.78 5.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.359 2.039 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -138.41 161.98 35.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -128.42 134.97 48.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.67 -169.24 19.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.752 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.5 p -133.4 146.36 32.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.076 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.707 HG23 ' HB1' ' A' ' 50' ' ' ALA . 43.5 mt -66.38 141.22 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.538 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 mmp_? -121.97 -66.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.456 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.7 t90 -120.62 131.49 54.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 36' ' ' ILE . 4.7 mt -121.94 105.9 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.62 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.85 -168.79 28.55 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.78 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -127.67 115.45 20.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.45 159.45 16.29 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.393 2.062 . . . . 0.0 112.206 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.84 87.46 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.542 2.161 . . . . 0.0 112.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.58 -50.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.577 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.855 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.26 112.38 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 110.795 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.12 107.95 5.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.864 0.364 . . . . 0.0 110.627 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.855 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.75 120.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.747 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.465 HG11 ' CD2' ' A' ' 84' ' ' LEU . 19.3 t -64.39 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.849 0.357 . . . . 0.0 110.651 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 83' ' ' LYS . 29.2 mt -108.15 117.24 33.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.786 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.01 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.46 103.75 1.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.29 151.95 21.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.867 0.365 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -117.54 104.82 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.19 135.99 52.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -70.02 -36.04 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.83 126.21 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.03 87.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.0 m -91.36 139.17 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.84 131.61 44.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 115.91 -28.4 7.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.16 164.25 26.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.45 -176.6 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -109.73 31.35 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.39 41.07 2.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 70' ' ' ARG . 74.8 p -141.72 136.73 31.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 10.3 t80 -108.63 108.4 19.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 58.35 29.42 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.32 -20.44 47.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.591 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 m -84.34 108.97 17.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.985 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HA ' HG22 ' A' ' 65' ' ' THR . 10.9 ttm180 -77.46 128.32 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 48.7 m-85 -111.48 -46.58 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 12.6 p90 -133.24 168.58 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -108.79 103.53 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.05 173.91 10.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.72 157.4 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.8 145.63 40.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 60.32 31.43 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.635 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 8.0 mtpt -143.6 40.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.51 109.3 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -121.16 112.87 19.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -83.4 138.27 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 26' ' ' VAL . 15.7 m -151.83 167.03 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.536 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.1 mttt -67.06 123.2 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.465 ' CD2' HG11 ' A' ' 48' ' ' VAL . 18.0 tp -59.23 -35.7 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -25.73 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.3 m -98.15 29.55 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 80.0 m -116.01 149.57 38.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.95 143.34 46.5 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' N ' HD21 ' A' ' 18' ' ' LEU . 51.7 Cg_exo -54.2 133.5 55.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.518 2.145 . . . . 0.0 112.276 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -102.97 113.54 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.58 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -98.75 30.25 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -30.14 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -122.66 30.66 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.58 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -65.33 131.4 46.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.42 161.02 14.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.99 -38.07 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.412 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 2.8 mp0 -75.87 -61.5 0.87 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 97' ' ' GLN . 69.7 Cg_endo -74.54 176.91 9.1 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.513 2.142 . . . . 0.0 112.387 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m 59.72 175.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.44 63.62 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.15 -49.06 18.62 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.617 2.211 . . . . 0.0 112.32 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.7 m -99.29 158.84 15.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -142.32 174.68 10.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.329 -1.262 . . . . 0.0 112.528 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -107.19 102.77 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 p -142.62 31.27 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.29 -144.12 48.16 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -66.36 -174.19 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -131.97 172.15 12.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.73 59.18 0.37 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mt -93.04 94.64 8.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.7 85.7 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -168.8 67.31 0.68 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.459 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 32.3 Cg_exo -57.24 -47.04 24.23 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.574 2.183 . . . . 0.0 112.606 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 11' ' ' PRO . 99.0 Cg_endo -80.03 -31.36 1.82 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.393 2.062 . . . . 0.0 112.445 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.35 -153.61 21.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 60.55 -178.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -52.58 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -126.79 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.58 76.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.8 mt -93.56 104.57 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.37 177.94 7.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 37' ' ' ARG . 22.0 t -60.54 140.09 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.63 -28.4 14.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.417 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' VAL . 68.7 m -92.89 158.29 15.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.9 mt -89.54 150.99 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.28 159.1 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -122.72 145.2 48.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.007 HG21 HG21 ' A' ' 82' ' ' VAL . 25.4 t -112.62 127.78 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.029 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.63 125.05 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.55 174.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.67 -59.61 13.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 73.6 Cg_endo -76.1 109.78 2.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.628 2.219 . . . . 0.0 112.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 55.9 Cg_endo -69.96 87.44 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.363 2.042 . . . . 0.0 112.341 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.484 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.4 p90 -104.38 160.09 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.15 127.64 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' HD22 ' A' ' 52' ' ' LEU . . . -149.06 156.82 27.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.528 ' HB ' HD23 ' A' ' 23' ' ' LEU . 10.7 p -99.59 142.44 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.64 HG23 ' HB1' ' A' ' 50' ' ' ALA . 37.8 mt -62.25 146.58 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 72' ' ' PHE . 19.3 mmm180 -130.36 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.452 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 57.7 t90 -117.61 133.32 56.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 36' ' ' ILE . 31.4 mt -124.92 105.95 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.47 -169.49 29.15 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.837 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -128.15 115.07 20.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.526 0.203 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD3' HD12 ' A' ' 49' ' ' LEU . 43.6 Cg_exo -57.51 159.72 15.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.498 2.132 . . . . 0.0 112.317 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.08 87.8 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.553 2.169 . . . . 0.0 112.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.27 -50.55 0.43 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.842 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.25 112.0 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.669 0.271 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -73.55 107.6 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.502 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.842 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.2 pt-20 -167.0 120.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.694 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.4 t -62.09 105.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.612 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' HD3' ' A' ' 42' ' ' PRO . 7.6 mt -110.19 118.28 35.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -94.25 114.93 27.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.4 102.97 1.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 34' ' ' GLY . 79.3 mt -90.48 136.41 33.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -103.66 108.56 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 32' ' ' PHE . 8.7 mt -66.07 134.88 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.02 -31.44 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.93 127.17 48.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.13 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.4 t -94.48 123.81 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.17 116.94 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.23 -28.62 2.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.4 m -89.11 175.0 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -106.87 -176.94 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.674 ' HB3' HD23 ' A' ' 76' ' ' LEU . 19.9 p-10 -98.33 34.03 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.73 38.75 3.34 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.01 118.99 21.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -110.21 108.62 18.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.26 35.88 20.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.2 28.84 63.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 m -127.82 94.02 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -62.0 122.63 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 15.7 m-85 -108.68 -40.35 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 24.1 p90 -147.15 174.19 11.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 73' ' ' THR . 9.5 t -108.68 118.0 35.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.88 -178.95 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.622 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -73.99 156.67 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 63' ' ' ASP . 6.9 mt -70.33 142.55 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp 60.96 37.08 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.622 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 6.3 mtpt -147.88 38.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -142.9 98.97 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 tp -112.43 103.29 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 82' ' ' VAL . 96.2 m-85 -73.17 142.77 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.007 HG21 HG21 ' A' ' 26' ' ' VAL . 14.8 m -158.03 167.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.012 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HA ' HD23 ' A' ' 49' ' ' LEU . 7.1 mtmt -74.12 126.21 30.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 111.159 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.35 -42.4 70.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -63.97 -22.71 67.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.1 m -98.25 29.43 3.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' ' 26' ' ' VAL . 21.0 m -115.96 169.99 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.99 143.23 30.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 128.33 29.75 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.453 2.102 . . . . 0.0 112.254 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -103.01 116.84 33.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -98.68 32.4 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -31.62 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -134.3 31.66 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.98 136.88 45.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -85.64 146.72 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 tp -103.52 -63.0 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 60.66 78.28 0.33 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.38 107.36 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.537 2.158 . . . . 0.0 112.332 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m -142.42 -50.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 102.53 -150.31 17.98 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.69 169.11 19.58 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.573 2.182 . . . . 0.0 112.254 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 m -111.39 -52.22 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.38 -51.93 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.32 -1.266 . . . . 0.0 112.467 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 m -78.03 136.32 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.51 162.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.3 -46.16 2.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t 60.67 86.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -146.0 -54.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.17 121.55 6.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mt -111.61 36.9 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.49 80.17 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.15 75.21 0.52 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.3 Cg_exo -58.28 -47.39 19.94 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.536 2.157 . . . . 0.0 112.38 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 44.4 Cg_exo -56.27 -21.66 37.28 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.243 1.962 . . . . 0.0 112.117 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.41 -28.25 6.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.403 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -117.26 -51.33 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.9 t -175.85 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -130.84 -46.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.89 56.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 mt -76.37 97.41 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 175.21 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 37' ' ' ARG . 22.5 t -58.72 122.47 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.21 -28.52 9.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.3 m -88.13 158.67 18.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.548 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.0 mt -87.48 151.04 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -146.84 167.54 23.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 4.4 tt0 -133.56 148.87 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 27' ' ' LYS . 21.3 t -115.69 156.22 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' N ' HG12 ' A' ' 26' ' ' VAL . 9.5 tttm -96.22 62.41 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -101.99 -172.93 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -71.07 -58.7 3.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.02 111.72 2.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.697 2.264 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 89.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.473 2.115 . . . . 0.0 112.203 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -109.68 168.84 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 29.5 m-85 -138.32 112.92 8.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.79 176.89 16.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -121.48 144.29 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.621 HG21 HD11 ' A' ' 39' ' ' ILE . 34.1 mt -62.41 136.88 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 20' ' ' VAL . 28.1 mmm180 -124.33 -59.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.497 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 60.4 t90 -128.21 134.09 48.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.621 HD11 HG21 ' A' ' 36' ' ' ILE . 22.5 mt -124.88 106.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.47 -171.78 33.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.735 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -128.1 115.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.534 0.206 . . . . 0.0 110.701 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.57 159.61 16.31 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.449 2.1 . . . . 0.0 112.36 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 87.3 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.547 2.165 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.08 -50.05 0.42 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.552 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.3 112.1 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 110.821 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -73.41 107.77 5.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.463 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.795 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.88 121.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.426 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.6 t -64.95 102.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.643 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 66' ' ' PHE . 16.4 mt -108.05 115.45 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.76 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.25 122.98 26.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD12 ' CG2' ' A' ' 82' ' ' VAL . 45.4 mt -114.77 130.01 56.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.78 105.83 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.52 139.56 56.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.45 -43.19 86.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.26 131.25 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -73.19 108.89 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.58 137.34 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.45 106.86 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.72 -28.63 2.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.5 m -66.61 169.11 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -102.66 -178.62 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -110.48 30.86 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.86 40.92 2.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 128.65 20.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE2' HD13 ' A' ' 49' ' ' LEU . 11.9 t80 -109.9 107.61 17.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 60.3 39.6 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.45 28.09 62.28 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 m -130.76 94.83 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.99 132.57 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 13.6 m-85 -118.48 -40.98 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 27.9 p90 -141.15 -178.46 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 m -115.32 112.72 22.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.78 -177.73 4.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -71.48 -176.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -93.37 140.24 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt 60.91 39.97 16.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.583 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 7.2 mtpt -148.72 41.16 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.29 107.42 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -126.61 110.88 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -85.01 137.74 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.608 ' CG2' HD12 ' A' ' 52' ' ' LEU . 14.1 m -145.78 167.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.423 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.8 mttt -68.54 121.41 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.539 HD13 ' HB2' ' A' ' 50' ' ' ALA . 16.2 tp -59.65 -29.94 68.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -63.93 -28.01 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.5 m -105.64 31.53 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.49 139.78 42.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.64 145.16 31.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.26 106.66 2.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.489 2.126 . . . . 0.0 112.363 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -66.54 129.81 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -109.15 30.98 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -66.96 -31.01 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -127.26 28.01 5.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.567 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -102.04 122.01 43.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 p -99.51 121.79 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.7 tt -92.67 -31.74 15.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.38 149.24 95.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.77 140.23 57.38 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.609 2.206 . . . . 0.0 112.263 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.11 132.16 23.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.58 167.01 15.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.08 -30.74 41.8 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.62 2.214 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.7 t -102.13 177.43 4.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.2 t -157.19 156.09 32.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.553 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.125 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -80.19 95.94 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -74.73 93.22 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.67 74.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -71.87 107.28 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -74.11 122.72 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.93 175.42 54.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -130.53 -178.93 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.92 103.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -173.49 68.27 0.35 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 32.1 Cg_exo -57.21 -47.28 23.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.636 2.224 . . . . 0.0 112.542 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 11' ' ' PRO . 98.2 Cg_endo -80.21 -35.75 0.61 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.354 2.036 . . . . 0.0 112.48 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.08 -179.31 18.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 60.34 179.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 t -74.99 -64.68 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -111.3 -60.38 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.61 61.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.523 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.542 HD21 ' HD3' ' A' ' 89' ' ' PRO . 4.3 mt -82.34 98.86 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pt-20 -139.56 178.43 7.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.3 t -62.86 131.5 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.37 -31.61 8.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -85.81 151.81 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 35' ' ' VAL . 15.2 mt -80.3 150.51 29.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.451 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -153.28 156.23 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.4 tt0 -123.79 148.11 46.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 82' ' ' VAL . 24.8 t -112.94 157.9 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 tttt -97.16 39.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.14 -177.98 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.21 -58.53 12.1 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.47 109.64 2.9 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.606 2.204 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.35 94.87 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.412 2.075 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 54' ' ' LEU . 8.2 p90 -122.25 172.97 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.1 m-85 -131.39 121.13 24.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.65 166.59 25.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.64 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -107.81 147.4 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.081 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.649 HG21 HD11 ' A' ' 39' ' ' ILE . 40.1 mt -64.59 139.37 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 20' ' ' VAL . 31.2 mmm180 -124.53 -60.0 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.492 ' CZ2' ' CZ ' ' A' ' 71' ' ' TYR . 59.6 t90 -127.33 133.77 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.649 HD11 HG21 ' A' ' 36' ' ' ILE . 19.7 mt -125.02 105.93 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.513 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.06 -169.12 29.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -129.08 115.5 18.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.578 0.227 . . . . 0.0 110.709 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.38 159.63 15.61 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.52 2.147 . . . . 0.0 112.328 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.13 87.49 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.499 2.133 . . . . 0.0 112.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.89 -50.36 0.42 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.631 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.849 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.26 113.26 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 110.868 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -73.37 107.81 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.429 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.849 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.3 pt-20 -166.94 121.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 84' ' ' LEU . 21.5 t -65.46 100.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 83' ' ' LYS . 6.9 mt -108.06 116.76 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.21 114.93 27.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.24 113.69 5.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.415 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' A' ' 82' ' ' VAL . 14.3 mt -101.63 131.59 47.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' A' ' 32' ' ' PHE . 6.8 mt -67.91 143.22 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.4 -31.62 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.54 133.89 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.57 97.56 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.14 129.41 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.01 131.38 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 109.81 28.39 4.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.2 m -137.75 151.93 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.6 p -88.69 -173.42 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -110.14 31.87 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.55 44.75 1.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.14 119.13 12.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 49' ' ' LEU . 28.6 t80 -109.64 118.53 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 60.38 32.2 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.08 28.44 60.4 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.3 m -131.59 104.52 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -64.3 129.56 40.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CZ ' ' CZ2' ' A' ' 38' ' ' TRP . 12.5 m-85 -113.11 -37.5 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -151.59 172.81 15.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 73' ' ' THR . 9.6 t -107.17 116.86 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.7 m -143.95 171.15 14.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -60.11 152.75 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.11 146.29 50.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt 60.22 33.82 21.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.487 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 3.5 mtpt -149.04 37.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.68 99.16 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.411 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 62.8 tp -119.04 123.16 43.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 89.8 m-85 -93.09 141.35 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 26' ' ' VAL . 16.1 m -149.07 166.19 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HA ' HD23 ' A' ' 49' ' ' LEU . 14.4 mttt -67.97 120.68 14.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 50' ' ' ALA . 16.2 tp -59.51 -29.1 67.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -28.07 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.8 m -102.17 31.63 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.6 m -113.92 158.04 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -140.5 145.17 39.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.542 ' HD3' HD21 ' A' ' 18' ' ' LEU . 32.9 Cg_endo -67.83 109.4 1.89 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.388 2.059 . . . . 0.0 112.224 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -65.73 131.53 46.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.647 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -100.26 30.1 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -31.39 72.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -122.24 30.02 6.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.647 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -101.99 123.38 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -109.07 134.97 50.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.76 31.73 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 98' ' ' PRO . 23.5 tt0 -161.37 53.84 0.49 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 97' ' ' GLN . 58.1 Cg_endo -71.59 106.72 2.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.594 2.196 . . . . 0.0 112.318 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.46 110.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.72 -91.21 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.37 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.46 -33.13 14.45 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.539 2.159 . . . . 0.0 112.209 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 121.43 35.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.4 p -148.42 111.6 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.486 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -130.05 -62.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -94.88 132.25 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.73 -141.47 3.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.3 p -176.35 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -39.16 83.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.17 170.92 43.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 mt -105.44 -178.97 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.64 95.84 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.81 146.46 17.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.78 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.5 Cg_exo -56.11 -45.99 34.16 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.454 2.102 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 31.8 Cg_exo -58.37 -20.28 47.46 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.282 1.988 . . . . 0.0 112.05 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.75 -91.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.88 -66.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.21 -42.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -152.44 30.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 79.07 53.63 4.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -106.45 97.67 7.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' HD12 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -128.72 178.36 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 37' ' ' ARG . 36.2 t -58.29 143.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.72 -45.66 2.53 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 m -70.76 153.07 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.7 mt -82.37 148.9 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.83 148.66 29.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.238 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -115.45 151.3 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.6 t -117.62 132.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.12 -178.93 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.77 -59.38 14.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.81 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.0 109.53 2.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.175 . . . . 0.0 112.236 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.08 104.33 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.452 2.101 . . . . 0.0 112.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 8.4 p90 -133.14 158.83 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -121.8 148.9 44.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.85 163.2 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.576 ' HB ' HD23 ' A' ' 23' ' ' LEU . 12.4 p -106.26 147.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.754 0.312 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.604 HG23 ' HB1' ' A' ' 50' ' ' ALA . 37.0 mt -66.34 144.1 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.511 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mmp_? -126.13 -65.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.443 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 55.9 t90 -119.96 132.43 55.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 36' ' ' ILE . 21.0 mt -124.35 105.89 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.12 -167.08 25.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.857 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -127.66 114.96 20.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.473 0.178 . . . . 0.0 110.735 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.41 159.72 15.49 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.85 87.69 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.508 2.139 . . . . 0.0 112.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.29 -51.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.57 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.27 113.51 20.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.722 0.296 . . . . 0.0 110.886 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.48 107.76 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.353 . . . . 0.0 110.43 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.857 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.9 pt-20 -166.76 120.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG11 HD23 ' A' ' 84' ' ' LEU . 21.3 t -63.48 99.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 0.0 110.649 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 83' ' ' LYS . 16.7 mt -107.82 116.09 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.604 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.92 114.93 27.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.02 116.39 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' ILE . 53.8 mt -104.01 147.38 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -110.89 108.64 18.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.3 mt -70.64 135.49 48.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -69.21 -38.28 78.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.12 118.33 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.28 98.1 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.3 123.49 47.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.01 139.03 57.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 114.02 -28.57 8.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.504 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 78.6 m -76.53 172.44 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -100.71 179.98 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.634 ' HB3' HD23 ' A' ' 76' ' ' LEU . 28.7 p30 -108.96 31.22 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.84 42.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 p -139.29 118.95 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.472 ' CE2' HD13 ' A' ' 49' ' ' LEU . 31.6 t80 -103.74 112.98 26.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 60.2 38.19 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.27 28.38 66.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 m -132.77 93.97 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -61.26 140.26 57.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 17.5 m-85 -124.9 -44.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -133.57 170.66 15.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.34 107.37 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.48 -176.83 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -70.04 170.08 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 63' ' ' ASP . 5.1 mt -84.95 142.96 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm 62.43 38.14 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 1.7 mtpt -151.32 39.49 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.41 111.29 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.408 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 41.0 tp -130.1 122.67 28.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 63.0 m-85 -96.38 147.3 23.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 81' ' ' PHE . 8.5 m -155.81 165.11 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.074 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 49' ' ' LEU . 18.5 mttt -68.72 122.81 19.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.533 HD23 HG11 ' A' ' 48' ' ' VAL . 27.3 tp -61.06 -36.63 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -25.52 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.58 33.9 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 54.2 m -114.55 142.54 46.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 145.17 30.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.737 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.51 110.43 2.87 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.438 2.092 . . . . 0.0 112.282 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -71.55 131.92 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.659 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -111.69 30.15 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -62.57 -45.61 92.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.87 24.09 12.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.659 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -102.08 123.3 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.9 m -76.33 152.02 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -97.5 38.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -138.74 93.62 10.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.7 149.7 43.71 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.527 2.151 . . . . 0.0 112.388 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.2 t -79.8 82.22 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.35 155.81 20.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.94 -31.34 19.93 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.177 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.4 p -126.07 156.38 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.71 107.48 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.546 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -154.86 81.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.63 77.94 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.55 137.88 9.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 m -133.24 128.91 36.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -65.76 -40.39 92.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.48 74.36 1.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.0 mt -93.97 -28.98 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.63 41.01 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.2 mtm -132.76 72.45 77.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 35.5 Cg_exo -58.27 -47.22 20.64 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.484 2.122 . . . . 0.0 112.406 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 48.7 Cg_exo -55.24 -22.42 32.65 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.221 1.947 . . . . 0.0 112.039 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.91 27.61 40.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.561 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -132.0 -68.02 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -165.95 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -105.28 -74.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.78 75.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt -101.16 97.06 7.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.86 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.8 t -60.41 128.9 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.7 -30.24 10.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.2 m -87.36 145.44 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 35' ' ' VAL . 6.8 mt -74.92 143.69 43.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' HB3' HD21 ' A' ' 52' ' ' LEU . . . -147.44 144.73 28.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.9 tt0 -118.41 144.11 46.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.84 HG21 HG21 ' A' ' 82' ' ' VAL . 27.7 t -106.78 158.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.8 tttp -97.39 37.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -178.08 5.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.66 -59.13 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 71.7 Cg_endo -76.93 109.51 2.86 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.697 2.265 . . . . 0.0 112.269 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' PRO . 48.6 Cg_endo -68.56 81.69 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.422 2.081 . . . . 0.0 112.294 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' HB2' HD22 ' A' ' 54' ' ' LEU . 3.8 p90 -100.85 173.01 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 19.9 m-85 -136.52 123.4 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.31 -155.35 6.44 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.694 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.2 p -144.47 148.99 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.681 HG21 HD11 ' A' ' 39' ' ' ILE . 36.1 mt -65.08 137.3 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.584 ' O ' HG13 ' A' ' 20' ' ' VAL . 25.8 mmm180 -121.61 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.456 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 61.7 t90 -127.92 134.5 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.681 HD11 HG21 ' A' ' 36' ' ' ILE . 12.4 mt -125.56 105.96 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.531 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.52 -168.01 28.05 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.744 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.4 115.34 18.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.586 0.231 . . . . 0.0 110.733 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.38 159.66 15.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.396 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.1 87.46 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.587 2.192 . . . . 0.0 112.295 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.71 -50.4 0.42 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.861 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 112.02 18.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.655 0.264 . . . . 0.0 110.798 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -73.48 107.76 5.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 0.0 110.428 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.861 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.6 pt-20 -166.95 121.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.748 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.53 100.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.654 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 83' ' ' LYS . 6.8 mt -108.61 117.0 33.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.98 114.91 27.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 111.86 4.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 24' ' ' ALA . 57.3 mt -100.89 130.11 46.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -97.51 111.37 23.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 32' ' ' PHE . 9.3 mt -71.83 132.2 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.68 -32.62 74.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -85.37 136.87 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -86.2 69.87 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.92 120.58 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.76 109.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.36 -27.99 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.7 m -87.05 -179.39 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.2 p -101.04 -176.67 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.634 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.4 p30 -111.58 31.4 6.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.08 33.06 3.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 p -132.51 119.15 20.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.42 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 24.4 t80 -112.48 107.13 15.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 60.73 38.64 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.55 28.47 71.01 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -128.21 93.95 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -60.63 131.92 52.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 21.1 m-85 -120.9 -42.42 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -149.8 163.43 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 73' ' ' THR . 9.7 t -100.5 120.3 39.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -143.56 170.46 15.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -61.07 152.95 26.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.634 HD23 ' HB3' ' A' ' 63' ' ' ASP . 2.1 mt -67.92 142.4 56.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt 61.8 40.12 13.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.672 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 15.1 mtpt -151.68 39.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 107.11 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 tp -123.83 116.79 23.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 66' ' ' PHE . 91.0 m-85 -90.8 141.74 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.84 HG21 HG21 ' A' ' 26' ' ' VAL . 6.7 m -152.99 166.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.453 ' HA ' HD23 ' A' ' 49' ' ' LEU . 9.0 mttt -66.76 122.4 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 50' ' ' ALA . 21.3 tp -59.39 -29.63 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -64.01 -28.05 69.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 m -101.58 33.8 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 52.7 m -109.87 163.63 13.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.01 145.13 37.84 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.51 108.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.435 2.09 . . . . 0.0 112.203 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.31 132.12 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.83 26.59 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -65.15 -29.64 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -108.98 25.85 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.43 121.95 29.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 m -74.52 107.99 7.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.75 31.7 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -136.1 73.49 58.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.3 179.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.518 2.146 . . . . 0.0 112.334 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 m -155.3 146.16 22.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.08 -73.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 110.25 2.53 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.58 2.187 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.1 t -68.15 147.31 52.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -128.1 114.85 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.338 -1.256 . . . . 0.0 112.568 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t 60.9 158.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -67.35 174.19 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.8 27.76 17.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.531 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -131.47 70.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.799 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t 58.55 22.56 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.28 26.41 36.4 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.709 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -145.78 153.76 41.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.2 30.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -170.57 65.98 0.48 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 32.2 Cg_exo -57.09 -47.24 23.75 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.559 2.173 . . . . 0.0 112.62 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 11' ' ' PRO . 98.1 Cg_endo -79.93 -35.37 0.73 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.359 2.039 . . . . 0.0 112.332 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.93 43.24 2.47 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -110.22 171.05 7.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -70.88 90.84 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 67.05 -70.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.04 61.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 ' O ' ' A' ' 87' ' ' CYS . 82.7 mt -105.5 103.57 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -142.73 174.89 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.621 HG23 HD12 ' A' ' 39' ' ' ILE . 21.8 t -59.76 130.09 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.67 -28.05 15.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.4 m -90.44 157.71 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.628 HD23 ' HB ' ' A' ' 35' ' ' VAL . 6.1 mt -89.71 150.85 22.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 166.27 29.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -130.91 148.06 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.423 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 21.3 t -111.19 149.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.166 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -90.5 91.35 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -173.51 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 1.7 m-80 -71.15 -58.8 3.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 29' ' ' ASN . 92.2 Cg_endo -78.88 111.28 2.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.6 87.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.475 2.117 . . . . 0.0 112.219 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 54' ' ' LEU . 17.3 p90 -109.36 140.81 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.48 149.45 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.58 -177.51 34.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.628 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -127.67 145.65 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.492 HG21 HD11 ' A' ' 39' ' ' ILE . 37.0 mt -64.95 140.21 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' HG13 ' A' ' 20' ' ' VAL . 22.9 mmm180 -125.31 -61.49 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.463 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 54.6 t90 -127.39 132.55 50.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.621 HD12 HG23 ' A' ' 20' ' ' VAL . 2.3 mt -123.96 106.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.594 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.34 -170.78 30.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.755 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -126.51 114.91 23.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.674 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.52 159.55 16.28 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.466 2.111 . . . . 0.0 112.275 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.72 87.45 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.544 2.162 . . . . 0.0 112.269 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.85 -51.3 0.41 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.29 113.14 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.36 108.02 5.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.854 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.1 pt-20 -166.72 120.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.801 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' A' ' 84' ' ' LEU . 20.5 t -64.04 99.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.732 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 83' ' ' LYS . 33.5 mt -106.19 113.95 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.751 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.99 114.92 27.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.84 114.47 6.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.418 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.2 mt -103.58 131.44 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -100.01 105.96 17.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 32' ' ' PHE . 12.0 mt -66.01 129.96 41.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -67.65 -31.15 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.34 122.72 36.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -70.11 91.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 22.8 m -101.71 141.47 34.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.75 133.32 49.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 28.46 5.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.2 m -134.06 143.31 47.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 p -80.02 -176.31 5.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -110.78 31.21 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.79 50.44 1.09 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.9 133.33 23.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 31.5 t80 -125.79 114.45 18.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG3' ' CD2' ' A' ' 66' ' ' PHE . 21.4 mtm180 60.34 36.25 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.06 28.55 71.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.7 m -126.39 96.47 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -60.67 120.69 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.424 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 15.9 m-85 -107.41 -42.29 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 42.0 p90 -147.02 165.92 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 t -105.06 118.43 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.52 -176.8 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -70.17 167.69 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.44 137.64 36.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 61.97 39.2 13.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 2.9 mtpt -147.37 39.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.68 109.31 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.2 tp -127.49 105.75 8.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -80.01 141.43 35.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.79 166.99 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HA ' HD23 ' A' ' 49' ' ' LEU . 13.6 mttt -69.7 122.28 18.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.52 ' CD2' HG11 ' A' ' 48' ' ' VAL . 13.0 tp -59.02 -33.45 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -26.76 68.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 m -104.09 31.71 4.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.469 ' O ' HD11 ' A' ' 18' ' ' LEU . 34.1 m -114.71 128.07 56.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.73 137.68 19.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.35 132.8 52.77 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.435 2.09 . . . . 0.0 112.264 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.33 104.15 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.01 26.54 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -27.91 68.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -115.17 26.8 9.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.29 129.49 34.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.8 m -103.52 100.9 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 tp -161.53 -67.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -155.17 147.3 17.4 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 137.69 67.93 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.536 2.158 . . . . 0.0 112.309 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.91 165.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.38 -132.78 0.06 OUTLIER Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.396 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.01 -26.08 13.76 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.487 2.125 . . . . 0.0 112.437 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t 61.53 113.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.5 t -79.85 -46.43 16.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.463 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -130.94 85.23 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 126.88 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.03 -45.18 0.43 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -99.02 31.66 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -95.39 128.6 42.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.97 -157.39 1.81 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt 66.27 31.75 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.324 . . . . 0.0 110.798 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.13 75.06 0.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.1 mtm -145.63 79.74 11.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 32.0 Cg_exo -57.52 -46.43 27.45 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.596 2.197 . . . . 0.0 112.534 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 11' ' ' PRO . 93.8 Cg_endo -81.35 -28.0 2.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.448 2.099 . . . . 0.0 112.399 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.93 28.63 4.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -118.48 -177.39 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -60.16 -43.95 95.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -129.82 -74.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.25 74.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt -102.55 102.31 12.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 36' ' ' ILE . 8.2 pt-20 -136.28 175.2 9.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.9 t -59.87 138.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.41 -28.72 12.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -90.96 152.59 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 ' HB ' ' A' ' 35' ' ' VAL . 10.2 mt -85.49 150.15 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.66 155.66 35.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -120.07 151.48 38.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG21 HG21 ' A' ' 82' ' ' VAL . 20.6 t -112.61 159.47 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.196 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.7 tppp? -93.59 46.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.27 166.78 14.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 5.2 m-80 -63.7 -50.23 72.71 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 87.4 Cg_endo -81.82 111.71 2.28 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.496 2.131 . . . . 0.0 112.248 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.37 115.76 2.88 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.399 2.066 . . . . 0.0 112.303 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 54' ' ' LEU . 8.4 p90 -142.03 157.95 44.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 40.6 m-85 -129.35 122.92 30.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.52 159.77 27.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.439 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.674 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.0 p -99.4 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 39' ' ' ILE . 43.2 mt -64.94 136.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' HG13 ' A' ' 20' ' ' VAL . 20.6 mmm180 -119.4 -62.14 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.458 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 56.7 t90 -127.67 133.88 49.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.845 HD11 HG21 ' A' ' 36' ' ' ILE . 30.5 mt -126.24 105.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.581 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.66 -168.95 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.795 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -126.83 114.47 22.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.542 0.21 . . . . 0.0 110.715 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.64 159.66 16.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.472 2.114 . . . . 0.0 112.274 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.84 88.01 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.256 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.91 -51.12 0.43 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.535 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.844 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -121.19 111.96 18.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.655 0.265 . . . . 0.0 110.821 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -73.03 107.83 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.55 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.844 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 pt-20 -166.86 120.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.803 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.51 100.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.715 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.545 HD13 ' CE2' ' A' ' 66' ' ' PHE . 24.0 mt -106.8 113.97 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.732 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -92.62 114.95 27.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.28 103.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.11 130.59 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.38 109.88 22.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 32' ' ' PHE . 7.6 mt -69.62 141.19 53.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.38 -31.25 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.32 137.05 39.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -76.86 93.64 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.68 124.08 40.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.16 124.57 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.44 -29.55 2.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.0 m -91.19 176.33 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.355 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.3 p -106.19 -170.26 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.688 ' HB3' HD23 ' A' ' 76' ' ' LEU . 2.0 p30 -105.56 32.29 4.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.76 33.62 3.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -128.86 128.13 43.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.545 ' CE2' HD13 ' A' ' 49' ' ' LEU . 22.2 t80 -111.69 111.68 22.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 60.35 35.63 20.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.86 28.98 55.76 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.7 m -132.35 104.96 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -64.72 127.63 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 8.0 m-85 -112.27 -42.83 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 37' ' ' ARG . 35.2 p90 -140.45 -178.95 5.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.02 109.62 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.1 m -139.85 172.43 12.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.7 -177.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 63' ' ' ASP . 18.9 mt -88.97 137.95 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp 62.74 39.68 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -144.36 38.4 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.07 99.98 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -112.51 108.12 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 82' ' ' VAL . 97.5 m-85 -84.28 137.75 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.566 HG21 HG21 ' A' ' 26' ' ' VAL . 17.1 m -156.59 167.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.498 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.0 mttt -65.06 123.14 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.016 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 50' ' ' ALA . 22.2 tp -59.09 -30.49 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -63.91 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 m -97.59 32.55 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 62.1 m -115.94 152.59 33.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -132.64 145.09 55.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.96 128.23 28.87 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.53 2.154 . . . . 0.0 112.271 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.95 108.06 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.669 ' OG ' ' HB3' ' A' ' 94' ' ' ALA . 1.1 t -99.01 31.28 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.86 -35.28 80.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -114.52 28.14 8.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.669 ' HB3' ' OG ' ' A' ' 91' ' ' SER . . . -102.05 122.71 44.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 m -96.84 112.99 24.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 mt -120.64 -42.97 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 179.95 -61.26 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.86 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 97' ' ' GLN . 60.5 Cg_endo -72.75 146.8 43.65 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.477 2.118 . . . . 0.0 112.341 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.4 p -152.57 153.94 34.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.9 76.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.54 151.73 17.92 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.519 2.146 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.1 m -119.97 155.45 32.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 m -149.26 34.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.483 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -82.54 -34.34 27.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -164.54 86.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.53 166.18 37.76 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.15 152.08 49.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.313 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -151.48 -48.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.25 -127.08 3.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt 65.56 31.12 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.75 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.29 106.84 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.0 ttm -110.09 136.06 20.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.789 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 46.9 Cg_exo -53.01 -45.39 41.42 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.284 1.989 . . . . 0.0 112.497 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 22.2 Cg_exo -64.67 -21.47 65.18 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.359 2.039 . . . . 0.0 111.91 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.35 169.8 12.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m120 60.93 -178.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.752 0.311 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.54 -64.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.53 -50.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.51 71.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt -93.05 98.43 11.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' ILE . 6.2 pt-20 -138.55 176.76 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 37' ' ' ARG . 21.8 t -58.89 130.8 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.09 -29.04 13.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.709 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.0 mt -87.82 150.85 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.07 165.53 35.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -126.12 160.95 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.53 152.06 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -86.93 119.0 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -170.02 -174.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.35 -58.02 4.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.51 109.77 2.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.504 2.136 . . . . 0.0 112.31 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.59 95.26 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.45 2.1 . . . . 0.0 112.241 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -116.41 173.01 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -136.66 127.32 27.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.25 152.49 21.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.561 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.709 ' HB ' HD23 ' A' ' 23' ' ' LEU . 12.7 p -99.8 145.91 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.662 HG21 HD11 ' A' ' 39' ' ' ILE . 42.9 mt -65.45 135.57 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.544 ' O ' HG13 ' A' ' 20' ' ' VAL . 22.5 mmm180 -120.47 -63.02 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.003 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.447 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 60.1 t90 -123.83 134.24 53.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.662 HD11 HG21 ' A' ' 36' ' ' ILE . 9.7 mt -125.43 105.99 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -166.27 -170.25 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.761 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -128.92 115.45 19.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.512 0.196 . . . . 0.0 110.743 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -57.33 159.74 15.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.517 2.145 . . . . 0.0 112.271 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.28 87.01 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.621 2.214 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.16 -50.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.628 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.834 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.32 112.73 18.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.821 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -73.24 107.88 5.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.421 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.834 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.3 pt-20 -166.75 121.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.811 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 84' ' ' LEU . 26.1 t -65.64 100.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 66' ' ' PHE . 17.8 mt -106.99 114.03 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -91.93 114.93 27.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.91 121.75 20.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.414 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.497 HD12 ' CG2' ' A' ' 82' ' ' VAL . 62.2 mt -112.62 126.79 55.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -95.9 111.18 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.26 128.01 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.96 -31.66 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.83 142.27 27.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.73 99.59 10.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.15 126.0 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.72 127.0 31.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.86 28.39 5.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.7 m -122.09 -173.91 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.752 0.31 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.9 p -111.14 -177.99 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -122.17 31.75 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.94 34.88 2.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.405 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 70' ' ' ARG . 41.4 p -138.22 134.44 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE2' HD13 ' A' ' 49' ' ' LEU . 11.4 t80 -113.47 107.2 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 58.48 42.7 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.21 28.74 59.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -130.07 94.05 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.612 ' HA ' HG22 ' A' ' 65' ' ' THR . 18.3 ttm180 -64.88 124.95 23.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.426 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 18.6 m-85 -113.27 -37.38 4.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.11 168.97 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 m -109.2 110.09 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.9 m -131.1 -176.83 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.614 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -61.14 164.44 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.3 137.47 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt 60.88 38.42 17.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.614 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 12.5 mtpt -148.11 40.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.43 111.1 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.6 tp -125.53 122.25 36.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 82' ' ' VAL . 85.8 m-85 -93.11 145.06 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.497 ' CG2' HD12 ' A' ' 52' ' ' LEU . 15.6 m -156.64 166.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HA ' HD23 ' A' ' 49' ' ' LEU . 17.7 mttt -68.0 122.81 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 50' ' ' ALA . 22.3 tp -58.4 -35.49 72.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -63.93 -26.0 68.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -101.14 33.83 2.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.7 m -113.96 151.12 32.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -124.82 130.25 24.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.97 128.05 28.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.119 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -103.06 102.58 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.09 27.1 4.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -65.01 -28.86 69.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -109.65 27.04 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.97 126.23 37.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 p -73.96 124.32 25.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mt -159.38 88.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 59.96 98.54 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.92 -168.26 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.468 2.112 . . . . 0.0 112.374 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.83 165.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -112.26 -164.88 17.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.32 136.15 54.82 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.631 2.221 . . . . 0.0 112.287 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -142.49 31.66 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -176.61 102.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.505 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 62.29 117.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.14 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.96 179.44 30.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -76.08 -44.72 37.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t 60.3 168.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.95 158.99 19.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 mt -102.18 -31.2 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.48 120.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mtt -124.05 80.03 58.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.792 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.1 Cg_exo -58.48 -47.24 20.03 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.531 2.154 . . . . 0.0 112.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 50.4 Cg_exo -54.98 -22.6 31.3 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.273 1.982 . . . . 0.0 112.07 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.76 116.52 4.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 63.72 -79.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -171.27 -50.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -139.76 -50.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.22 68.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.561 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -86.64 97.0 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.31 175.17 9.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 37' ' ' ARG . 30.2 t -58.06 133.36 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.32 13.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' VAL . 58.0 m -82.99 154.87 24.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 35' ' ' VAL . 4.2 mt -90.69 151.0 21.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.68 159.85 38.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -116.63 165.33 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.29 136.74 58.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.94 87.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.95 162.62 34.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.72 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.537 ' HB2' ' HD3' ' A' ' 30' ' ' PRO . 9.4 m-80 -59.18 -52.75 72.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 29' ' ' ASN . 73.4 Cg_endo -74.92 111.41 3.32 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.278 1.986 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 91.41 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.589 2.192 . . . . 0.0 112.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.704 ' HB2' HD22 ' A' ' 54' ' ' LEU . 11.3 p90 -119.8 140.72 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -114.27 144.01 43.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.93 175.99 34.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.599 ' HB ' HD23 ' A' ' 23' ' ' LEU . 11.3 p -119.68 145.95 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.796 0.332 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.792 HG21 HD11 ' A' ' 39' ' ' ILE . 31.8 mt -66.27 135.43 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.61 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mmp_? -117.94 -66.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.461 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 50.6 t90 -121.21 131.11 54.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.073 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.792 HD11 HG21 ' A' ' 36' ' ' ILE . 33.1 mt -122.36 105.97 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -165.41 -167.72 26.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.702 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -129.16 115.52 18.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.543 0.211 . . . . 0.0 110.725 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.42 159.53 15.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.389 2.06 . . . . 0.0 112.287 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.05 87.38 0.87 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.519 2.146 . . . . 0.0 112.287 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.92 -50.41 0.42 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.832 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -121.25 113.55 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 110.867 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.33 107.78 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.506 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.832 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.0 pt-20 -166.77 121.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.524 HG11 HD23 ' A' ' 84' ' ' LEU . 21.3 t -65.9 100.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.628 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 66' ' ' PHE . 9.1 mt -108.98 117.09 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.644 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -92.3 114.97 27.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 112.31 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.555 HD12 ' CG2' ' A' ' 82' ' ' VAL . 25.7 mt -103.66 146.65 28.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.07 107.91 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 32' ' ' PHE . 11.6 mt -66.14 137.06 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.95 -32.05 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -92.72 129.27 38.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.41 103.69 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.44 133.68 51.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.83 135.04 50.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.7 28.63 6.56 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.549 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.3 160.72 35.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -96.98 -178.02 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -108.17 34.16 3.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 p -141.62 133.21 26.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 49' ' ' LEU . 23.1 t80 -119.86 111.7 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 60.39 36.3 20.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.69 28.23 63.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.8 m -132.05 94.15 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -63.57 126.86 28.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.424 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 22.6 m-85 -112.14 -40.39 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -139.14 169.2 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' THR . 10.4 t -106.35 113.95 27.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -132.52 -176.86 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -67.12 -178.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.85 135.58 35.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 61.03 38.21 17.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 6.1 mtpt -147.14 41.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.75 109.52 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.2 tp -123.99 121.67 35.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 79.1 m-85 -95.01 137.59 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.555 ' CG2' HD12 ' A' ' 52' ' ' LEU . 10.6 m -146.6 165.36 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -71.0 123.76 22.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.524 HD23 HG11 ' A' ' 48' ' ' VAL . 28.0 tp -58.44 -38.02 76.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -24.98 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -103.67 31.49 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.16 154.94 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 130.55 24.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.05 134.35 59.48 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.412 2.075 . . . . 0.0 112.265 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -101.89 116.39 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.92 28.97 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -29.26 70.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 6.7 m-85 -108.34 28.15 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.169 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.66 125.88 42.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.859 0.361 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.5 m -81.2 125.19 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.8 mp 60.03 85.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -75.83 146.06 78.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.08 131.88 45.06 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.564 2.176 . . . . 0.0 112.28 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.5 p -176.73 38.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 110.9 -149.61 17.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.535 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.97 89.45 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.591 2.194 . . . . 0.0 112.308 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 m -80.31 -57.35 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.3 p -101.23 171.45 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.451 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -95.36 109.98 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.0 119.75 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.11 66.18 0.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.96 98.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 m -152.2 155.99 38.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.3 -159.54 22.2 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -101.44 -79.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.347 . . . . 0.0 110.994 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.16 55.72 1.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -143.75 80.66 12.57 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 53.1 Cg_exo -53.98 -45.75 38.74 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.56 2.173 . . . . 0.0 112.593 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 11' ' ' PRO . 90.1 Cg_endo -81.76 -27.44 2.59 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.344 2.029 . . . . 0.0 112.409 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.81 -29.08 7.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.436 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -101.4 -58.14 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -170.36 -51.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -161.62 -45.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.05 37.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.787 HD21 ' HA ' ' A' ' 89' ' ' PRO . 42.6 mt -76.95 101.9 6.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 pt-20 -144.74 179.18 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.47 132.18 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.52 -34.22 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -92.59 139.78 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD23 ' HB ' ' A' ' 35' ' ' VAL . 9.6 mt -68.05 143.97 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -143.71 147.86 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -112.14 147.57 35.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.663 ' CG2' HG21 ' A' ' 82' ' ' VAL . 21.9 t -107.06 158.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.5 tttp -100.83 75.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.32 -169.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -75.04 -58.55 1.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.781 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.408 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 93.4 Cg_endo -79.05 111.59 2.95 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 96.84 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.413 2.076 . . . . 0.0 112.231 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 30' ' ' PRO . 4.4 p90 -119.64 151.26 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.45 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 10.8 m-85 -116.97 156.75 26.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.79 -178.4 43.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.443 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.415 ' HB ' HD23 ' A' ' 23' ' ' LEU . 9.1 p -124.56 143.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.599 HG21 HD11 ' A' ' 39' ' ' ILE . 37.4 mt -64.92 140.65 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -126.38 -63.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.444 ' CZ2' ' HA3' ' A' ' 40' ' ' GLY . 52.9 t90 -122.26 132.89 54.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.599 HD11 HG21 ' A' ' 36' ' ' ILE . 20.5 mt -124.65 105.91 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.573 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' ' CZ2' ' A' ' 38' ' ' TRP . . . -164.79 -169.47 28.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.801 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -127.05 114.9 21.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.576 0.226 . . . . 0.0 110.759 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -57.54 159.8 15.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.471 2.114 . . . . 0.0 112.233 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.9 87.89 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.505 2.136 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.99 -51.1 0.43 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.865 HD12 ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -121.29 112.62 18.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.716 0.293 . . . . 0.0 110.811 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -73.27 107.83 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.973 0.416 . . . . 0.0 110.437 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.865 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.8 pt-20 -166.77 121.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.749 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 ' CD2' ' A' ' 84' ' ' LEU . 20.3 t -63.18 100.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.843 0.354 . . . . 0.0 110.673 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.644 HD13 ' CE2' ' A' ' 66' ' ' PHE . 17.1 mt -106.43 114.45 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 36' ' ' ILE . . . -91.99 114.9 27.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.46 116.78 8.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.72 135.21 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.86 108.58 19.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.99 132.56 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.09 -32.95 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -97.39 136.6 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -73.99 109.57 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.3 m -104.69 132.28 51.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.08 123.94 22.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.41 28.66 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 82.0 m -127.25 175.43 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 16.5 p -107.82 173.12 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.698 ' HB3' HD23 ' A' ' 76' ' ' LEU . 5.3 p30 -101.73 31.44 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.54 42.88 1.2 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.679 HG22 ' CA ' ' A' ' 70' ' ' ARG . 7.4 p -139.88 121.39 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.644 ' CE2' HD13 ' A' ' 49' ' ' LEU . 28.5 t80 -104.06 119.95 40.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? 60.08 31.78 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.64 27.3 51.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 m -134.04 112.16 10.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.679 ' CA ' HG22 ' A' ' 65' ' ' THR . 7.7 ttm180 -75.07 127.96 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.41 ' HB3' ' CG ' ' A' ' 38' ' ' TRP . 16.6 m-85 -111.73 -36.42 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -139.51 176.45 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.3 p -112.24 114.1 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.46 176.4 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' HD3' ' A' ' 78' ' ' LYS . . . -59.96 179.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.698 HD23 ' HB3' ' A' ' 63' ' ' ASP . 9.5 mt -93.34 141.36 28.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp 61.52 37.31 16.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 5.8 mtpt -147.06 38.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 62' ' ' THR . . . -134.27 104.23 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.9 tp -126.17 112.73 16.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 66' ' ' PHE . 58.5 m-85 -83.93 151.57 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.663 HG21 ' CG2' ' A' ' 26' ' ' VAL . 15.8 m -155.88 166.69 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' A' ' 49' ' ' LEU . 28.1 mttp -68.32 118.52 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.545 ' CD2' HG11 ' A' ' 48' ' ' VAL . 9.3 tp -58.96 -33.56 70.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -64.06 -26.39 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 m -103.12 31.01 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 m -114.48 138.87 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 145.08 32.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.787 ' HA ' HD21 ' A' ' 18' ' ' LEU . 50.7 Cg_exo -53.74 125.75 19.64 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.471 2.114 . . . . 0.0 112.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 8.9 t0 -101.99 130.49 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.665 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 94' ' ' ALA . 1.1 t -88.29 -75.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.008 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.45 ' NH1' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 52.32 -84.8 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.359 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' SER . 41.3 m-85 -87.4 54.33 3.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.617 ' HB2' ' OG ' ' A' ' 91' ' ' SER . . . -90.93 133.13 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -90.93 114.02 26.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.9 tt -108.18 125.74 51.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.19 134.78 20.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.55 -61.92 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.481 2.121 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 t 63.09 -79.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 115.65 -98.64 0.85 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.57 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.56 130.78 16.46 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.564 2.176 . . . . 0.0 112.354 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -176.57 -58.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.8 t -109.16 -69.47 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.465 179.989 . . . . . . . . 0 0 . 1 stop_ save_