data_2dgq_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 2dgq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -62.38 -30.53 71.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.55 31.38 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.93 177.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mt -143.03 130.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HE2' ' CG ' ' A' ' 91' ' ' PHE . 36.9 tttt -92.3 103.58 16.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.9 mt -79.38 148.61 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -125.8 130.49 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.75 133.91 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.04 32.62 4.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 4.7 tp-100 -134.05 40.07 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 90' ' ' ALA . 37.4 mt -100.11 113.7 65.38 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -167.53 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 131.12 54.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.47 -16.18 9.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -103.21 177.25 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -153.35 -179.71 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -56.1 -21.85 24.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.26 -20.08 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.98 -13.29 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 68.0 mt -98.03 -28.9 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.0 mttp -56.22 -45.51 99.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.98 -50.08 12.57 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.94 -50.99 44.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD1' HD21 ' A' ' 92' ' ' LEU . 23.8 m-85 -60.91 -24.36 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -80.84 -2.49 47.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -82.58 -13.63 56.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 91.1 m-85 -108.13 -32.1 7.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.83 -171.46 44.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.13 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.04 152.75 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -105.64 -37.71 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -161.7 138.09 8.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.56 110.35 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -122.46 136.37 54.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.9 t -97.65 134.83 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 mt -86.33 123.46 31.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -130.78 144.99 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 6.1 m-20 -52.57 179.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 81' ' ' ARG . 3.1 tmt_? -118.92 -62.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.9 -41.71 58.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.7 p -105.19 -40.06 5.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.28 15.09 72.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.9 mt -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -38.92 110.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CD ' ' OD1' ' A' ' 80' ' ' ASP . 2.7 mtmp? -60.37 -43.01 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.41 36.7 0.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.9 p -161.91 161.82 28.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 53' ' ' ILE . . . -158.38 156.79 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.483 ' CG ' ' HE2' ' A' ' 47' ' ' LYS . 37.3 m-85 -103.65 123.17 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 66' ' ' PHE . 9.5 tp -113.37 131.54 55.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.8 m -121.08 140.02 52.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 9.5 m-85 -110.15 141.25 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.4 -27.71 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.81 157.25 26.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -67.19 -59.29 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 99' ' ' SER . 53.4 m-20 -46.46 -54.36 9.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 74.7 m -35.72 -46.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.02 62.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.27 -51.64 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ALA . 27.1 mtpp -62.44 -68.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.537 ' HB3' ' CD2' ' A' ' 69' ' ' PHE . . . -47.02 -31.87 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.63 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 t -75.63 -2.57 29.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.521 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.91 -23.67 14.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.28 -39.22 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -48.63 107.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 58.46 40.54 23.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -129.03 -45.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.02 159.95 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.8 m -134.25 94.2 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.3 mt -51.81 155.13 3.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.93 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.32 2.49 47.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.4 mmt -116.82 105.52 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -51.84 -35.11 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -100.05 160.05 28.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.425 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.9 Cg_endo -69.71 177.18 5.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -87.13 131.78 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -102.7 120.25 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.6 t -131.6 120.53 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -130.53 155.4 81.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 84.39 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -55.92 -31.65 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -111.64 39.28 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.37 179.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.6 mt -139.74 131.64 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -94.13 109.78 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.7 mt -82.65 140.35 33.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -119.42 126.04 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.65 136.0 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.01 30.95 4.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 8.1 tp-100 -133.29 40.7 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 90' ' ' ALA . 32.2 mt -102.78 112.45 65.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.99 6.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.348 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' CZ ' HD22 ' A' ' 85' ' ' LEU . 6.7 ttt180 -94.92 118.01 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.81 -26.69 2.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.0 mt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.76 -175.24 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.465 ' CG ' ' HG ' ' A' ' 75' ' ' LEU . 2.0 mp0 -57.14 -21.79 35.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.94 -20.0 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 26.5 t70 -100.15 -26.3 13.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 26.3 mt -91.95 -26.71 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.579 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.5 mmtp -55.17 -45.77 99.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.926 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.6 Cg_exo -47.95 -55.24 4.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.61 -51.51 69.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.511 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 24.0 m-85 -58.33 -25.16 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -86.03 -3.39 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.41 -22.16 41.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 106' ' ' ALA . 98.2 m-85 -100.55 -35.25 9.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.53 167.86 39.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -64.69 131.65 47.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 73' ' ' TYR . 23.0 mt -85.98 150.73 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.458 ' N ' HG22 ' A' ' 72' ' ' ILE . 17.2 t80 -100.04 -37.3 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -170.48 137.45 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 8.5 tp -130.26 119.17 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.2 m -133.66 123.07 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' CG1' ' NE2' ' A' ' 86' ' ' HIS . 91.2 t -86.98 133.02 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 91' ' ' PHE . 23.9 mt -79.33 140.38 37.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -136.11 167.89 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -176.99 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -119.24 -49.83 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.4 -42.2 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.2 p -105.02 -14.24 15.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 54.01 24.73 28.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 HD22 ' CZ ' ' A' ' 55' ' ' ARG . 18.1 mt -92.26 168.27 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.465 ' NE2' ' CG1' ' A' ' 77' ' ' VAL . 20.5 t-80 -70.33 109.06 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -60.91 -51.2 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.05 42.57 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.8 p -170.41 164.38 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.44 ' N ' HD11 ' A' ' 53' ' ' ILE . . . -153.98 155.28 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.534 ' CE2' HD12 ' A' ' 78' ' ' LEU . 17.2 m-85 -105.59 111.77 24.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.424 HD23 ' CG ' ' A' ' 66' ' ' PHE . 14.7 tp -99.97 133.66 44.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 m -121.68 127.23 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 15.0 m-85 -102.27 147.43 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 p -62.21 -34.67 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.62 -177.67 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -32.44 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.68 -49.93 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m -48.88 -42.91 38.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -64.59 -56.63 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 mt -44.19 -49.5 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -59.69 -69.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.66 -29.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.17 -54.03 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 t -79.75 -7.08 58.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . . . -99.4 -20.19 16.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.1 mt -109.09 -48.97 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -42.25 108.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 54.8 41.1 32.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -131.49 -44.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.07 174.44 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.2 m -152.4 108.88 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.83 157.8 78.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.85 4.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.09 26.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.9 mmt -106.4 117.15 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -91.34 158.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.8 tt -88.53 127.09 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.67 121.5 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.3 t -132.48 124.48 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -136.05 152.37 75.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -55.85 -40.36 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -107.77 35.96 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.7 172.89 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.2 mt -135.64 148.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -105.21 105.74 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -79.96 137.59 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 89' ' ' CYS . 11.6 t80 -118.54 126.69 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -105.61 133.22 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.74 32.36 4.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.471 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 35.6 tp60 -133.54 40.84 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 mt -106.3 113.5 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -165.6 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -104.06 136.66 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.85 -24.32 9.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 mt -101.66 156.9 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -134.25 -177.55 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -53.06 -28.43 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.72 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.49 -15.17 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.97 -27.32 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 22.5 ttmt -54.92 -45.21 99.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.92 -55.17 4.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.63 -50.69 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.3 -24.51 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -83.25 -0.06 47.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.22 -17.44 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CD2' ' CB ' ' A' ' 103' ' ' ALA . 87.9 m-85 -103.93 -41.71 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.19 -174.94 39.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -81.12 130.69 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 21.6 mt -77.4 160.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.408 ' N ' HG22 ' A' ' 72' ' ' ILE . 24.5 t80 -115.71 -37.97 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -163.99 117.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.1 tp -116.75 119.14 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -134.68 136.4 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 78' ' ' LEU . 85.3 t -97.09 137.16 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' CE2' ' A' ' 91' ' ' PHE . 26.9 mt -89.83 130.94 36.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -138.27 155.47 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -53.43 177.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 82' ' ' LEU . 19.1 ptt-85 -116.09 -43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 81' ' ' ARG . 5.3 mp -68.63 -43.72 75.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.1 p -102.13 -45.13 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.8 27.59 34.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.49 135.61 38.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.19 100.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -58.99 -44.15 91.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 125.7 42.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 1.6 p -166.75 159.3 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.32 147.04 24.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 78' ' ' LEU . 8.0 m-85 -97.3 110.91 23.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.7 tp -100.08 134.56 42.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 m -123.95 125.29 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -99.06 154.99 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.3 -46.82 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.08 175.55 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -84.67 -42.77 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 101' ' ' LEU . 8.8 t0 -57.43 -57.75 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' ASP . 12.9 m -37.66 -45.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.35 86.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 98' ' ' ASP . 15.1 mt -57.27 -48.39 79.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -58.76 -67.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.521 ' CB ' ' CD2' ' A' ' 69' ' ' PHE . . . -51.89 -39.03 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -57.77 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -77.28 -7.42 55.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -96.94 -17.83 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 mt -113.53 -39.34 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -50.54 107.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 59.06 38.94 23.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -128.89 -44.51 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -100.02 154.52 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.1 m -134.82 91.76 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 39.9 mt -46.79 155.43 0.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 112.02 2.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.18 0.85 33.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -115.85 105.52 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.23 -32.22 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -100.0 154.36 37.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.56 5.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -87.69 127.34 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.79 119.74 39.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.9 t -130.07 120.98 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -131.19 153.2 81.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.76 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.732 2.288 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -71.46 -34.8 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.91 36.62 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.82 178.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 47' ' ' LYS . 53.9 mt -141.18 149.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 20.5 tttt -109.72 107.11 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 mt -78.78 143.52 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -124.56 120.4 31.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.8 t -101.74 133.33 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -124.98 28.54 5.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 1.3 mp0 -130.64 43.82 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' A' ' 86' ' ' HIS . 27.6 mt -105.18 112.33 65.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.635 2.224 . . . . 0.0 112.356 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -105.23 117.11 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.67 2.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 mt -100.76 158.42 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.76 -179.35 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -54.13 -20.03 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -78.03 -25.61 47.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 -9.61 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.453 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 70.7 mt -96.09 -31.0 13.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 26.2 mtpt -52.46 -45.71 95.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -54.45 5.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.65 -54.53 38.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.512 ' CG ' HD21 ' A' ' 92' ' ' LEU . 23.5 m-85 -60.07 -23.38 63.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.24 -0.88 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -85.99 -15.68 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 81.2 m-85 -110.16 -57.55 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -145.54 -179.34 21.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -81.73 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 73' ' ' TYR . 95.4 mt -82.0 137.53 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.6 t80 -100.03 -34.29 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -165.07 127.76 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tp -128.98 119.86 25.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -136.9 139.29 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.503 HG12 ' CD2' ' A' ' 86' ' ' HIS . 18.5 t -100.6 149.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 91' ' ' PHE . 10.5 mt -98.32 129.31 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HB3' ' C ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -120.48 179.15 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -179.25 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -108.49 -25.59 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.23 -42.68 8.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -107.81 -19.8 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' C ' ' HB3' ' A' ' 79' ' ' LYS . . . 55.67 33.54 59.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.425 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 86' ' ' HIS . 47.6 mt -94.93 135.03 36.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.549 ' CE1' HG23 ' A' ' 53' ' ' ILE . 14.7 t-80 -34.85 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.64 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.84 43.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.7 163.52 12.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.62 147.78 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 78' ' ' LEU . 18.9 m-85 -98.12 115.96 29.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.512 HD21 ' CG ' ' A' ' 66' ' ' PHE . 20.2 tp -102.98 133.36 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -122.89 118.21 27.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -93.89 149.57 21.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 81.5 m -63.87 -40.81 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.11 177.85 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -89.54 -41.33 12.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.67 -53.38 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.9 m -40.65 -35.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.07 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -45.75 -46.42 15.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -63.55 -69.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . . . -47.87 -27.33 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.401 ' NE2' ' HD3' ' A' ' 124' ' ' PRO . 6.6 tt0 -71.1 -52.61 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.9 t -79.72 -6.29 56.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.531 ' HB1' ' CE2' ' A' ' 69' ' ' PHE . . . -98.14 -25.63 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.69 -46.15 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -45.69 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.81 39.47 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -130.78 -44.31 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -97.0 157.03 16.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.0 m -134.75 94.62 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 41.5 mt -55.58 156.87 8.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.36 9.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 98.85 -6.59 60.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -109.48 107.42 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -53.3 -34.24 56.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -98.59 161.22 25.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -102.86 133.1 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.78 119.65 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.5 t -131.5 116.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.409 ' CB ' ' NZ ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -128.78 153.88 79.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.71 88.15 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -64.61 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.75 37.61 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.95 179.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.7 mt -139.72 136.47 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -99.93 108.0 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.8 mt -77.83 139.39 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -117.79 121.62 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.8 t -102.34 136.93 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.02 33.4 2.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 77.1 mm-40 -133.52 41.65 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 mt -110.15 115.0 55.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -173.37 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -99.99 117.33 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.11 -31.51 1.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.61 173.92 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -146.69 -175.05 4.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.65 -20.82 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -74.86 -12.96 60.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -110.17 -15.96 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 65.2 mt -92.53 -35.35 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 mtpm? -50.43 -45.83 84.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.0 Cg_exo -47.94 -55.5 3.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.626 2.218 . . . . 0.0 112.376 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.94 -50.97 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.57 -24.64 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.37 -2.74 50.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.65 -23.26 42.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 90.9 m-85 -100.17 -44.03 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.39 161.61 33.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -54.89 141.12 34.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 73' ' ' TYR . 44.9 mt -91.7 153.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.431 ' N ' HG21 ' A' ' 72' ' ' ILE . 28.9 t80 -101.35 -37.45 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -173.86 136.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 tp -131.38 125.65 33.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 77' ' ' VAL . 18.5 m -135.36 139.04 43.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 76' ' ' THR . 86.6 t -102.06 127.12 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -75.45 131.63 40.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -134.1 161.98 33.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.88 178.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -115.39 -38.65 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.8 -34.24 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.2 p -107.8 -36.14 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.18 27.55 68.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.2 mt -97.31 172.81 7.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.31 109.75 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -62.91 -50.36 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.81 42.42 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 5.9 p -173.05 162.46 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.84 143.93 23.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.1 m-85 -92.79 111.81 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.5 tp -101.71 136.39 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -127.74 115.21 18.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -87.94 152.25 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -67.3 -41.88 84.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.74 162.39 16.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -70.3 -47.15 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.39 -60.16 3.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.1 m -42.48 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.55 -52.12 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.3 -49.16 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 106' ' ' ALA . 37.0 mtpt -60.04 -67.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.79 -40.58 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -61.09 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -73.93 -3.54 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -97.01 -29.08 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.7 mt -104.24 -40.27 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -46.94 111.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 54.66 40.99 32.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.418 ' CD ' ' O ' ' A' ' 106' ' ' ALA . 3.5 tt0 -130.34 -44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -98.18 174.85 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.5 m -155.81 106.46 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.58 155.31 50.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 105.52 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 110.52 18.97 8.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 14.7 mmm -128.31 113.97 16.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -59.11 -36.09 74.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -99.25 153.14 37.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.73 2.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.8 tt -88.02 131.57 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -108.74 119.74 40.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.9 t -132.05 118.68 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -127.6 150.16 72.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.77 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' HB3' ' A' ' 44' ' ' ASP . 17.0 p80 -49.47 -35.81 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 8.6 p-10 -111.15 31.45 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.55 177.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.7 mt -134.45 161.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.461 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 25.7 tttt -115.38 108.46 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.16 140.09 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -124.73 126.21 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.6 t -103.31 139.13 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.85 29.91 3.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 15.7 tp60 -132.78 40.41 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.6 mt -102.02 113.72 65.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 ptt-85 -108.37 136.63 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.71 14.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -100.97 169.18 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -143.76 179.31 7.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.73 -20.7 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -76.56 -22.93 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -92.25 -17.03 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 67.7 mt -95.26 -30.04 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.3 mtpt -55.71 -45.57 99.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.8 Cg_exo -47.97 -48.02 17.48 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.74 -53.92 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 21.9 m-85 -58.64 -24.82 61.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.78 -1.27 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -87.13 -18.52 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.489 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 78.7 m-85 -100.52 -47.19 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.92 -170.48 32.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -83.64 122.11 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 73' ' ' TYR . 26.7 mt -70.54 142.93 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.441 ' N ' HG22 ' A' ' 72' ' ' ILE . 46.3 t80 -101.08 -34.05 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -162.33 133.35 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 tp -138.54 120.03 14.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.5 m -140.15 139.16 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.445 HG13 ' CD2' ' A' ' 86' ' ' HIS . 96.1 t -94.79 132.4 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD11 ' CE2' ' A' ' 91' ' ' PHE . 15.9 mt -79.4 122.89 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -126.44 165.45 19.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.77 178.01 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.6 mmm180 -114.31 -51.45 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mp -72.85 -38.08 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.4 p -102.6 -31.78 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.25 25.0 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' HIS . 86.7 mt -96.98 128.55 44.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.445 ' CD2' HG13 ' A' ' 77' ' ' VAL . 38.7 t-80 -35.32 105.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -59.07 -46.75 87.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.04 42.3 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 p -166.87 167.45 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.94 151.1 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.461 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 17.4 m-85 -101.16 113.72 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.499 HD12 ' CD2' ' A' ' 66' ' ' PHE . 25.7 tp -106.36 134.74 49.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 m -124.36 140.58 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.1 m-85 -111.62 140.76 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.8 p -58.95 -42.3 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.19 149.4 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -57.41 -59.88 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.43 -61.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.4 m -39.17 -40.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.551 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.87 -47.07 69.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.5 -47.01 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 5.9 mtpm? -59.35 -68.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.489 ' HB1' ' CD2' ' A' ' 69' ' ' PHE . . . -51.27 -31.0 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.25 -60.82 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.412 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 5.2 t -78.34 -4.99 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.22 -18.01 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.15 -44.63 3.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.49 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 75.7 t60 -44.64 108.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 56.61 40.86 29.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 1.5 mp0 -129.21 -45.23 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -100.0 179.44 4.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 17.7 m -154.04 108.87 3.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.48 156.94 87.39 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.16 5.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 109.66 -14.99 32.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.8 mmt -104.8 125.44 50.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.97 -33.46 73.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.65 161.29 26.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.66 4.36 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.4 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.7 tt -87.13 134.17 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -105.92 120.94 43.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 23.4 t -134.64 115.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -130.35 155.05 81.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t70 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -58.82 -38.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -109.19 36.34 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.44 174.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.7 mt -141.99 135.04 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.528 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -94.1 123.57 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.8 mt -93.47 122.04 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -105.02 126.73 52.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -106.04 132.36 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.59 36.27 2.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.458 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 75.6 mm-40 -134.59 41.19 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.5 mt -107.63 116.75 57.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -109.24 118.79 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.23 -27.56 2.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.3 mt -99.93 171.12 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -142.7 -174.99 4.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' CD ' ' CG2' ' A' ' 77' ' ' VAL . 6.2 mm-40 -58.67 -20.07 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -68.81 -19.55 64.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 t70 -99.2 -21.5 16.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.539 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 57.7 mt -90.45 -37.93 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mmmp? -47.48 -46.98 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.526 0.679 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.0 Cg_exo -48.01 -55.04 4.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.97 -50.36 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 24.0 m-85 -59.61 -25.37 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.42 -0.16 55.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -88.18 -20.84 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.06 -42.53 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.52 175.01 46.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.13 135.5 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 73' ' ' TYR . 43.9 mt -87.9 156.39 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.4 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 16.3 t80 -108.45 -49.96 3.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -145.11 138.82 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HG ' ' CD ' ' A' ' 59' ' ' GLU . 28.4 tp -142.68 121.33 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -144.5 130.89 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG2' ' CD ' ' A' ' 59' ' ' GLU . 26.0 t -84.55 136.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 91' ' ' PHE . 14.3 mt -90.32 128.28 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -126.52 177.56 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.12 169.12 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -108.39 -45.16 3.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.21 -37.63 57.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.7 p -100.05 -46.09 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.7 17.56 59.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 mt -89.96 149.17 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.42 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 6.0 t-80 -54.8 100.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -55.52 -48.06 75.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.2 40.5 0.44 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 3.3 m -156.81 161.5 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.05 141.27 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 78' ' ' LEU . 7.2 m-85 -95.07 113.64 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.4 tp -109.07 138.59 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -129.0 122.37 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.73 139.76 31.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.6 m -55.22 -48.39 73.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.84 161.7 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.8 ptm180 -77.56 -41.06 40.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 1.1 m-20 -56.73 -53.01 62.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 m -48.73 -35.46 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -52.74 28.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.6 mt -47.84 -53.46 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 106' ' ' ALA . 41.7 mttm -55.29 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.45 -30.39 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.77 -63.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -76.41 -2.69 33.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -96.32 -26.92 15.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.3 mt -108.07 -39.51 5.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -48.34 110.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 55.44 41.7 30.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -130.39 -45.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -99.25 158.74 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 m -134.8 92.88 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.8 mt -42.38 155.81 0.25 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.07 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.8 -0.36 39.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 39.5 mmm -106.97 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -52.79 -34.32 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.79 155.52 36.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -171.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.4 tt -95.91 136.19 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.73 119.66 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.11 115.55 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -124.2 150.5 63.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.698 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.8 Cg_endo -69.8 80.57 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 97' ' ' ARG . 18.8 p-10 -114.14 36.8 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.1 mt -142.71 135.29 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.518 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 49.4 tttp -98.08 102.61 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -76.93 148.84 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -128.14 126.85 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.91 128.66 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.51 34.12 3.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 80.4 mm-40 -134.34 41.19 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 62' ' ' LEU . 33.0 mt -107.38 113.94 61.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.92 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.27 133.91 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.01 -26.61 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 mt -99.97 162.43 12.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -136.27 -175.37 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 77' ' ' VAL . 22.4 mt-10 -58.16 -18.31 24.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -80.81 -16.22 54.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 8.1 t70 -96.98 -23.18 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 53' ' ' ILE . 79.0 mt -92.1 -25.54 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.3 tttt -55.1 -45.34 99.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.5 Cg_exo -47.94 -55.63 3.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.93 -52.85 63.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.524 ' CD1' HD22 ' A' ' 92' ' ' LEU . 23.9 m-85 -58.06 -26.27 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.49 -4.39 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -79.98 -21.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 88.3 m-85 -105.01 -45.79 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 171.63 40.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -69.72 134.08 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 42.7 mt -82.25 144.95 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.7 t80 -100.0 -30.95 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -172.05 137.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 tp -133.42 121.3 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 77' ' ' VAL . 3.7 m -129.26 137.35 51.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 59' ' ' GLU . 96.6 t -102.14 136.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.407 ' N ' HG11 ' A' ' 77' ' ' VAL . 19.1 mt -85.59 128.26 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -136.43 149.71 48.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.35 170.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -111.68 -40.01 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.47 -35.71 53.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.2 p -100.96 -33.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.77 21.03 79.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.6 164.38 13.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -72.78 99.88 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -51.28 -50.77 58.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.93 40.22 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -155.01 163.6 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -163.07 138.01 6.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 45.3 m-85 -92.77 119.89 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' A' ' 66' ' ' PHE . 34.2 tp -103.79 135.96 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.8 m -127.33 118.24 23.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.458 ' CE2' HD23 ' A' ' 92' ' ' LEU . 20.5 m-85 -94.84 144.79 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.13 -38.66 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.7 176.26 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -89.85 -34.26 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 11.3 t0 -61.69 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.5 m -40.49 -37.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 104' ' ' GLN . . . -67.87 -50.69 54.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.62 -47.0 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 24.2 mtmt -60.71 -68.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 69' ' ' PHE . . . -52.17 -36.7 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 100' ' ' ALA . 4.4 tt0 -61.43 -64.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.6 m -74.24 -4.78 38.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.33 -22.1 16.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.5 mt -108.59 -40.44 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -49.79 108.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 56.97 40.25 28.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -128.08 -45.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -100.16 159.42 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 55.1 m -134.13 96.77 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.3 mt -53.32 156.41 4.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.48 0.78 62.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -114.13 108.73 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -56.62 -32.35 65.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.43 ' NE ' ' HD2' ' A' ' 119' ' ' PRO . 15.4 mmm180 -99.92 156.28 35.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.43 ' HD2' ' NE ' ' A' ' 118' ' ' ARG . 53.8 Cg_endo -69.74 -176.63 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 5.0 tt -90.65 138.58 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -111.49 119.59 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.2 t -131.53 125.78 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -137.43 154.42 75.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.72 84.0 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.28 . . . . 0.0 112.38 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -64.43 -18.28 64.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.3 27.74 7.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 179.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -142.38 138.87 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -101.14 121.53 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.6 136.42 33.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -118.9 117.23 28.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.44 134.64 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.41 30.28 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 119' ' ' PRO . 4.8 tp-100 -131.78 42.44 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.412 HD11 ' C ' ' A' ' 89' ' ' CYS . 21.1 mt -100.5 113.68 65.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.45 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -104.41 118.37 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.1 -17.25 4.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -101.9 164.15 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -141.09 -176.33 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -59.99 -19.13 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -82.53 -9.26 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -107.1 -18.37 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.55 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 82.3 mt -96.09 -19.05 19.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 tttp -63.78 -45.21 81.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -48.0 -50.65 11.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.33 -49.36 67.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 17.0 m-85 -64.27 -22.61 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.6 -0.18 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.14 -18.4 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CG ' ' HB1' ' A' ' 103' ' ' ALA . 90.6 m-85 -100.94 -42.92 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.64 -178.91 44.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -71.89 134.91 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 73' ' ' TYR . 64.8 mt -81.47 159.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.478 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 6.2 t80 -114.47 -38.07 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -169.22 126.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.14 120.6 33.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 77' ' ' VAL . 8.0 m -135.98 139.08 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' N ' HG22 ' A' ' 76' ' ' THR . 72.3 t -97.13 135.2 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.409 HD13 ' CE2' ' A' ' 91' ' ' PHE . 40.6 mt -84.91 133.19 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -136.13 151.04 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.67 -179.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -115.69 -39.2 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.3 -37.15 53.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.9 p -107.89 -13.72 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 48.12 25.7 4.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -96.0 160.11 14.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.431 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 17.7 t-80 -62.53 102.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -61.42 -39.08 89.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.431 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 118.07 41.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.412 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -160.5 155.58 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.411 ' CB ' ' CD1' ' A' ' 53' ' ' ILE . . . -150.14 142.63 24.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 78' ' ' LEU . 7.2 m-85 -94.29 111.06 22.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 tp -103.0 138.56 39.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 94' ' ' TYR . 90.5 m -124.18 139.7 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.418 ' N ' HG22 ' A' ' 93' ' ' THR . 9.5 m-85 -114.52 137.61 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 96' ' ' ALA . 3.1 p -62.67 -40.56 97.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' N ' ' SG ' ' A' ' 95' ' ' CYS . . . -94.95 177.37 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -97.78 -32.15 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.85 -48.53 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.3 m -40.15 -47.83 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.0 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.9 mt -54.04 -48.16 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -62.86 -69.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.401 ' HB1' ' CG ' ' A' ' 69' ' ' PHE . . . -49.17 -25.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.96 -65.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.8 t -71.28 -4.67 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.02 -21.24 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 92.2 mt -110.6 -47.62 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -41.45 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 54.76 41.47 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.89 -44.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.0 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -146.43 105.59 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.98 155.48 63.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.56 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.44 -7.31 26.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -111.78 109.49 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.16 -34.49 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -94.0 155.84 39.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.6 Cg_endo -69.8 175.38 8.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.9 tt -86.65 125.82 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.23 119.88 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.3 t -129.37 118.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -124.14 147.36 54.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.8 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -66.12 -29.93 70.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.95 28.51 8.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.25 178.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 mt -121.08 134.02 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.526 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 32.6 tttt -94.79 104.7 16.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.6 mt -77.14 138.75 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 89' ' ' CYS . 24.9 t80 -122.04 123.24 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.63 133.0 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.48 31.67 3.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 15.7 mm100 -134.13 39.25 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.4 116.13 63.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -105.48 120.96 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.36 -23.23 3.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.3 164.35 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.46 -174.99 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' CD ' HG23 ' A' ' 77' ' ' VAL . 25.5 mp0 -56.46 -22.9 35.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.58 -18.88 60.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.98 -15.26 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 61.2 mt -95.88 -33.94 12.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.584 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 11.7 mtmm -52.68 -45.53 96.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -47.93 -50.35 11.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.5 -50.84 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.432 ' CD1' HD21 ' A' ' 92' ' ' LEU . 25.9 m-85 -58.58 -24.11 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -82.62 -0.01 45.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.53 -20.44 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.547 ' CE2' ' HB1' ' A' ' 106' ' ' ALA . 89.5 m-85 -108.41 -47.57 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -156.16 174.11 34.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -79.67 127.28 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.7 mt -71.39 152.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -118.89 -48.53 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -142.99 119.55 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 tp -128.51 123.91 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -142.89 118.52 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.416 HG23 ' CD ' ' A' ' 59' ' ' GLU . 91.3 t -76.71 132.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 91' ' ' PHE . 28.6 mt -79.84 129.44 34.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.57 149.55 43.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.21 -177.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -120.78 -43.11 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.51 -33.68 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 -33.76 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.51 76.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.28 170.1 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -79.29 93.87 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -50.53 -45.08 56.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.43 40.88 0.41 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 4.3 m -156.2 163.47 39.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.58 144.59 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 22.2 m-85 -98.79 114.55 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 66' ' ' PHE . 15.4 tp -106.33 143.82 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.8 m -131.8 123.32 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 11.8 m-85 -95.67 123.17 39.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.1 p -35.21 -39.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.32 165.47 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 16.1 ptt-85 -76.32 -38.12 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 32.0 m-20 -59.74 -54.81 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 29.5 m -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.454 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -69.77 -56.69 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.045 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.4 mt -43.27 -49.24 6.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -61.84 -70.07 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.11 -27.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.79 -58.49 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -77.73 -6.14 53.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.547 ' HB1' ' CE2' ' A' ' 69' ' ' PHE . . . -99.78 -20.51 16.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.074 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.2 mt -110.55 -40.43 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.483 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 69.5 t60 -50.35 102.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 63.88 37.78 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 2.2 mp0 -126.96 -44.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.04 159.05 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 83.0 m -134.64 98.02 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.7 mt -50.21 153.6 2.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 109.66 2.37 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.16 7.7 32.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 29.3 mmm -118.24 115.69 25.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.11 -37.03 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -99.89 158.19 32.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.95 2.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.462 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.3 tt -91.02 141.3 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -112.09 119.81 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.74 117.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -130.77 152.84 81.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.11 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.854 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.895 0.379 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -64.97 -27.09 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -113.42 28.01 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 178.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -141.26 144.03 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -105.81 115.37 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.0 mt -85.51 142.94 28.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 42.8 t80 -123.0 132.21 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 120' ' ' ILE . 2.7 t -106.48 132.5 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.61 28.81 5.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 60.2 mm-40 -134.42 37.7 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mt -101.71 113.36 65.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -172.74 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -102.44 118.22 36.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.9 -28.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.7 mt -99.93 176.65 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.952 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -145.49 -176.27 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -60.68 -23.74 65.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -71.84 -24.5 61.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.8 t70 -91.27 -21.78 20.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.76 -25.79 18.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 28.4 tttp -55.23 -45.78 99.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.0 -55.51 3.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.18 -56.35 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -57.34 -28.17 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.93 -6.2 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.15 -14.1 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.461 ' CE1' ' HB1' ' A' ' 106' ' ' ALA . 40.0 m-85 -110.27 -34.26 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.66 175.89 47.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -78.75 125.81 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 60.0 mt -70.13 150.09 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -104.92 -32.98 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -166.01 126.6 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 tp -128.08 120.51 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.1 t -91.67 139.61 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -89.83 120.3 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -128.32 154.05 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.99 176.72 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -118.67 -43.72 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.88 -42.94 76.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.6 p -100.26 -33.02 10.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.59 21.31 77.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.86 148.57 22.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -56.45 103.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -50.41 -51.39 46.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.66 42.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 2.0 p -171.66 162.38 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.4 148.59 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.77 117.58 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.8 tp -109.84 138.89 45.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -126.24 130.29 50.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 9.6 m-85 -101.99 149.14 24.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.7 m -70.88 -39.17 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.87 160.62 15.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -76.44 -33.36 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 4.5 t70 -73.04 -52.19 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -40.07 -44.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.59 -53.13 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.8 mt -47.44 -53.25 14.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -56.24 -67.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.33 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.78 -52.97 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 t -80.11 -6.47 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.461 ' HB1' ' CE1' ' A' ' 69' ' ' PHE . . . -99.37 -21.0 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.31 -45.67 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -47.04 111.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 53.55 40.34 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.78 -44.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -98.96 171.23 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.3 m -147.11 107.09 3.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.1 mt -62.77 154.45 75.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.664 0.745 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 108.12 2.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.85 6.87 24.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.1 mmt -119.64 114.05 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -56.16 -37.86 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 162.04 22.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.49 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.453 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -95.3 144.15 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 52' ' ' GLN . 2.4 mp0 -113.37 119.85 39.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.4 t -130.38 115.9 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -125.39 155.33 71.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -58.27 -38.24 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -108.33 38.0 2.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mt -144.1 127.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 29.2 tttt -87.36 101.85 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.56 140.33 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.15 124.4 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.8 t -103.21 135.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.46 31.5 3.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 91.4 mm-40 -134.36 40.43 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.486 HG21 ' CE1' ' A' ' 86' ' ' HIS . 44.9 mt -104.5 119.05 55.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -178.76 2.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -96.72 117.33 30.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.75 -21.06 2.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.93 151.32 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.3 -175.05 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.89 -33.73 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.02 -21.07 62.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.1 m-20 -87.13 -28.92 22.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 53' ' ' ILE . 88.3 mt -89.34 -36.66 15.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.5 mttt -46.99 -47.21 54.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -47.96 -48.4 16.39 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.58 -57.52 8.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.424 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 29.8 m-85 -57.63 -27.18 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -79.19 -2.22 39.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.72 -19.61 44.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 95.4 m-85 -105.99 -49.73 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.43 164.78 31.18 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -68.9 112.11 5.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 43.0 mt -58.8 149.99 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -104.13 -34.54 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -175.2 121.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.48 130.64 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -139.97 112.25 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.489 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 5.1 p -89.17 126.52 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.0 141.88 45.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -139.68 144.15 37.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.2 t70 -41.44 161.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -108.23 -36.5 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.78 -40.46 61.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -102.2 -33.73 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.79 25.56 57.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.9 mt -97.47 172.59 7.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' HG21 ' A' ' 53' ' ' ILE . 17.7 t-80 -68.34 112.13 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 5.8 mtpm? -63.64 -54.03 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.11 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.9 p -174.28 163.39 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -161.17 145.18 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.503 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 22.6 m-85 -96.36 109.08 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.515 HD22 ' CE2' ' A' ' 94' ' ' TYR . 12.4 tp -99.51 138.48 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.6 m -123.52 123.37 40.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.515 ' CE2' HD22 ' A' ' 92' ' ' LEU . 15.2 m-85 -98.96 138.06 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.37 -42.01 94.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.08 140.94 40.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -61.13 -29.1 69.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -69.45 -56.86 6.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -43.83 -35.47 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -69.39 -50.43 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.83 -46.95 64.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 106' ' ' ALA . 81.2 mttt -61.76 -67.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.28 -38.09 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -64.74 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.469 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 23.0 t -74.73 -4.63 38.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.56 -26.32 14.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.01 -41.94 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 57.0 t60 -47.41 107.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 56.56 37.87 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 105' ' ' SER . 1.4 mp0 -129.66 -44.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -100.02 158.82 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.0 m -134.9 100.88 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.15 154.53 2.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.32 17.24 14.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.9 mmm -125.76 120.2 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -35.86 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 80.3 mtm-85 -98.93 155.89 36.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.86 3.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.421 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 13.6 tt -88.92 135.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -109.4 119.72 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.88 126.54 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 151.51 76.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -68.35 -35.61 78.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -108.76 37.77 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.47 -179.0 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 mt -138.96 154.54 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -105.47 122.26 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -95.24 134.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 t -103.62 132.31 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.4 34.36 3.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.438 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 27.2 mm100 -134.53 40.54 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.1 mt -106.33 113.76 62.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.59 3.02 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -95.32 117.31 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 -30.63 1.84 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.95 166.61 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.59 -176.17 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 77' ' ' VAL . 21.4 mp0 -57.38 -22.78 44.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.23 -14.64 60.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-20 -103.97 -20.84 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 74.3 mt -91.07 -33.32 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 6.4 ttmm -49.85 -45.96 80.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.93 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -48.01 -53.86 6.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.6 mt -65.09 -54.11 35.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 92' ' ' LEU . 22.5 m-85 -58.02 -25.85 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -83.16 -0.1 47.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -87.06 -13.68 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 86.0 m-85 -108.74 -55.64 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.0 175.8 28.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -80.98 112.6 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 73' ' ' TYR . 20.1 mt -59.45 142.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.469 ' N ' HG21 ' A' ' 72' ' ' ILE . 6.4 t80 -99.94 -34.6 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -169.0 121.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 tp -120.4 134.88 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 77' ' ' VAL . 10.4 m -147.14 138.63 24.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 78' ' ' LEU . 79.2 t -102.34 134.86 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -85.77 135.02 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -139.11 141.47 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.37 164.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -6.29 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -102.34 -46.33 4.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.9 p -104.4 -31.95 9.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.95 25.43 60.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.35 128.3 42.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -38.36 101.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' CE ' ' HB3' ' A' ' 78' ' ' LEU . 27.1 mtmt -54.03 -50.68 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.69 42.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -165.29 163.16 20.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.16 146.56 15.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.466 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.7 m-85 -93.91 120.95 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 66' ' ' PHE . 21.9 tp -109.85 133.21 53.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -121.72 133.15 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -108.84 138.47 45.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -56.98 -43.48 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.39 158.6 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -68.31 -59.14 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -41.85 -59.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.4 m -41.51 -36.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.14 -52.73 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.36 -45.09 80.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 106' ' ' ALA . 29.4 mtpt -57.79 -68.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.536 ' HB3' ' CD2' ' A' ' 69' ' ' PHE . . . -52.85 -40.6 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.69 -55.65 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.3 t -76.54 -12.5 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.483 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . . . -96.66 -20.18 18.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' ALA . 86.4 mt -106.21 -43.15 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -49.59 101.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 67.24 37.27 3.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 12.5 mp0 -125.84 -44.77 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.25 158.94 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.7 m -135.06 99.29 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.0 mt -56.67 154.99 15.59 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.24 3.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.57 15.04 30.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.4 mmm -127.56 97.36 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -44.88 -33.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -100.06 155.4 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.71 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.438 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 9.0 tt -88.58 136.16 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -109.65 119.73 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.32 122.98 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -135.99 152.03 74.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.2 Cg_endo -69.7 81.43 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.783 0.325 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -44.59 -31.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -111.88 39.02 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.77 172.46 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.07 152.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -107.32 105.45 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.7 mt -79.01 138.81 38.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -121.65 121.94 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.82 132.32 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.24 34.04 4.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 119' ' ' PRO . 9.3 tp-100 -133.18 43.14 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -108.89 112.33 60.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 177.28 5.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.324 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 139.79 30.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.3 -25.37 9.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -99.93 -178.02 3.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -160.59 -176.3 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' ' HG ' ' A' ' 75' ' ' LEU . 32.5 mp0 -51.45 -20.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 8.0 pt20 -72.08 -31.75 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 5.9 t70 -90.3 -19.46 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.557 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 17.0 mt -91.63 -35.14 14.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.4 mmtm -46.3 -47.63 45.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -47.99 -55.19 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.411 HD23 ' CE ' ' A' ' 111' ' ' LYS . 61.4 mt -62.29 -55.35 29.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CD1' HD23 ' A' ' 92' ' ' LEU . 21.2 m-85 -57.49 -27.69 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -83.76 -0.67 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -82.79 -23.14 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 96.9 m-85 -102.55 -42.36 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.58 172.25 44.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -67.38 150.06 49.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 73' ' ' TYR . 81.7 mt -100.25 158.81 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.4 t80 -107.15 -35.32 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -171.83 125.27 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.451 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 8.0 tp -119.54 121.28 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -139.44 126.37 20.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -93.22 152.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -99.06 136.22 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -133.47 144.35 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.86 172.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -110.77 -43.83 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.41 -40.41 89.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.2 p -103.5 -50.22 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 25.45 17.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.3 mt -99.36 143.31 29.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -46.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -45.52 -55.72 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.61 41.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.74 166.75 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.12 150.6 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -97.9 117.28 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 66' ' ' PHE . 18.5 tp -108.79 127.32 53.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.1 m -115.2 115.57 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.1 m-85 -87.24 139.44 30.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.74 -37.79 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.0 168.88 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -80.77 -48.35 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.02 -55.82 23.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -43.42 -39.77 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -70.58 -54.2 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.53 -47.24 49.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 35.7 mtpt -60.34 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . . . -49.36 -32.72 11.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -69.13 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -75.01 -2.5 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -100.09 -20.79 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 85.4 mt -113.47 -42.24 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -40.08 109.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 56.27 42.28 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' LEU . 1.9 mt-30 -133.8 -44.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.441 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 9.9 mmmt -100.04 172.89 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.1 m -155.96 113.05 3.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.99 157.44 61.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 108.59 2.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.36 11.68 17.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -124.02 123.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -69.22 -35.04 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -93.93 154.15 40.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.8 Cg_endo -69.77 178.0 5.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.454 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.4 tt -86.69 120.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -100.37 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.26 118.55 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -129.65 153.37 80.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.78 85.1 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.79 0.328 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.28 1.07 55.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.84 157.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mt -131.77 145.63 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 18.4 tttt -102.49 105.58 16.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.17 148.38 32.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.2 136.3 50.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.45 135.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.75 31.37 3.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 39.1 mm-40 -133.07 40.09 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.2 mt -103.07 116.35 62.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -166.35 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.403 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -109.02 118.79 37.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.96 -21.76 3.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -106.17 170.41 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.04 -179.6 6.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.503 ' OE1' ' CG1' ' A' ' 77' ' ' VAL . 1.2 mm-40 -55.93 -26.13 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -69.16 -21.96 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -95.63 -18.85 20.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 60.2 mt -94.21 -27.23 16.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 ttmp? -55.74 -45.18 99.92 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.04 -49.11 14.63 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.15 -48.29 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.497 ' CG ' HD21 ' A' ' 92' ' ' LEU . 23.8 m-85 -62.73 -25.1 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -81.28 -3.24 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.48 -19.07 36.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -101.62 -40.14 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.17 174.0 46.39 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -66.97 130.47 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 73' ' ' TYR . 83.6 mt -78.22 155.65 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 17.5 t80 -109.86 -46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -148.71 140.24 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.429 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 7.6 tp -144.71 115.71 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 m -145.12 123.89 12.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.503 ' CG1' ' OE1' ' A' ' 59' ' ' GLU . 32.1 m -77.84 152.86 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.53 139.71 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -136.21 151.78 50.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.6 m-20 -46.0 172.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -110.41 -29.11 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 10.2 mt -77.27 -44.47 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.8 p -108.25 -35.21 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.47 19.88 55.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.7 mt -86.12 143.27 28.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -45.89 116.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 29.1 mtmt -75.09 -56.43 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.36 43.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.5 170.77 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -163.07 144.54 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 6.2 m-85 -92.91 116.6 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.497 HD21 ' CG ' ' A' ' 66' ' ' PHE . 19.9 tp -115.14 130.64 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.8 m -122.13 130.98 53.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.9 m-85 -96.87 144.68 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 p -61.95 -31.75 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.9 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.36 15.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -59.55 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.9 m -50.02 -32.68 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -72.75 -47.96 42.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.29 -52.01 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 25.4 mtpp -56.75 -68.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.08 -26.72 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.19 -63.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.4 t -76.77 -6.07 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -95.68 -22.31 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -110.26 -37.99 5.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -50.16 106.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 60.74 37.53 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -126.12 -44.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.06 158.85 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 52.3 m -132.94 102.98 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.1 mt -57.64 155.71 20.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 120.92 7.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.91 7.94 63.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mmm -118.39 98.44 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -45.65 -33.67 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -99.82 155.82 36.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -167.0 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.457 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.6 tt -99.49 139.82 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -112.67 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 23.9 t -133.14 125.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 156.38 72.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.7 Cg_endo -69.77 85.32 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -64.72 -34.92 79.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.72 10.11 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.51 165.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 47' ' ' LYS . 40.9 mt -136.5 148.84 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 25.1 tttt -106.97 102.93 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 mt -79.07 144.78 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -126.63 126.28 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.14 138.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.54 34.53 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 61.0 tp60 -134.59 42.35 2.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.6 mt -103.12 112.71 65.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 178.84 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -93.88 116.9 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.65 -29.59 2.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 mt -101.58 161.67 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.33 -175.12 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -55.1 -18.95 6.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.87 -24.12 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.41 -11.78 20.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 36.8 mt -96.53 -33.32 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -51.02 -45.54 88.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.556 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -47.95 -55.87 3.62 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.28 -55.11 35.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' HD22 ' A' ' 92' ' ' LEU . 25.3 m-85 -56.22 -29.94 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.36 -11.3 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -78.64 -17.3 56.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 93.4 m-85 -105.97 -49.8 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.74 171.69 38.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -73.56 120.84 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 73' ' ' TYR . 49.9 mt -67.01 143.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.471 ' N ' HG21 ' A' ' 72' ' ' ILE . 9.6 t80 -99.98 -30.62 11.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -172.07 124.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.5 tp -124.63 128.91 49.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -142.57 138.57 30.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 78' ' ' LEU . 97.2 t -98.69 137.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 91' ' ' PHE . 22.8 mt -88.45 141.58 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -137.31 168.55 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.69 -177.44 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -120.15 -59.94 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.28 -39.76 91.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 p -101.3 -45.69 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.9 27.33 50.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.6 mt -96.34 133.75 40.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.473 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 11.4 t-80 -43.54 97.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -50.99 -45.29 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.473 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 118.75 35.13 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.9 m -149.75 163.65 37.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.67 147.04 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 78' ' ' LEU . 16.6 m-85 -96.59 114.4 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 66' ' ' PHE . 11.3 tp -106.04 137.16 44.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -129.85 125.49 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.5 m-85 -95.25 151.32 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.2 p -75.76 -30.35 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -112.84 145.0 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.74 -53.88 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.5 m -42.6 -36.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.536 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -73.9 -55.71 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.5 mt -49.83 -49.76 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 106' ' ' ALA . 59.3 mttt -57.51 -68.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.546 ' HB1' ' CD2' ' A' ' 69' ' ' PHE . . . -48.01 -35.99 11.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -63.22 -57.64 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.1 t -80.39 -5.99 57.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.472 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . . . -98.72 -20.67 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -111.96 -45.02 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.552 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 78.2 t60 -47.21 108.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.461 ' CG ' ' OE1' ' A' ' 121' ' ' GLN . 14.2 mt-10 59.37 38.14 23.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -130.22 -44.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -100.4 156.44 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 56.8 m -133.09 99.24 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.8 mt -55.59 155.97 9.65 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.25 -1.99 56.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -111.97 118.08 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -64.81 -33.1 75.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.444 ' HG2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -100.14 156.39 35.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 176.09 7.25 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -86.72 130.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.552 ' OE1' ' CE1' ' A' ' 108' ' ' HIS . 12.5 mm100 -103.28 119.58 39.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.1 t -130.14 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.04 155.47 70.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 87.75 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.384 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 45' ' ' ALA . 10.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -41.51 -35.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -107.16 41.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 42' ' ' ASP . . . -71.36 178.12 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.14 152.62 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ALA . 6.7 ttpm? -110.57 117.36 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.65 141.93 28.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 2.8 t80 -123.84 126.82 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.1 t -103.59 133.65 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.68 32.39 3.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 119' ' ' PRO . 6.3 tp-100 -133.4 41.06 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.727 0.299 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 90' ' ' ALA . 49.8 mt -105.74 114.76 62.57 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -167.68 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -106.72 118.77 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.71 -24.99 3.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.38 169.93 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.06 -175.1 4.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' CD ' ' CG2' ' A' ' 77' ' ' VAL . 1.3 mm-40 -56.79 -25.17 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.04 -20.4 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -97.81 -18.25 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.563 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 96.4 mt -92.04 -34.47 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -48.26 -46.75 67.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.8 Cg_exo -48.0 -43.99 28.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.8 mt -74.67 -54.48 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 20.3 m-85 -58.43 -24.05 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -82.95 -5.65 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.55 -20.86 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 103' ' ' ALA . 89.2 m-85 -101.14 -46.89 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.94 -173.45 34.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -86.27 125.94 33.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.467 HD12 ' CD ' ' A' ' 63' ' ' LYS . 58.6 mt -72.41 143.66 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 5.0 t80 -100.62 -33.81 10.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -160.34 115.93 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 7.3 tp -121.39 114.72 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 77' ' ' VAL . 3.4 m -137.1 154.53 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.463 ' CG2' ' CD ' ' A' ' 59' ' ' GLU . 47.3 t -114.15 137.03 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.541 HD12 ' CE2' ' A' ' 91' ' ' PHE . 18.2 mt -86.3 131.05 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -129.53 160.79 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.74 -177.39 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -39.4 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.71 -41.83 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.7 p -101.16 -8.09 22.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 42.18 29.88 0.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.7 mt -97.54 172.39 7.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.438 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 12.5 t-80 -74.46 107.96 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -57.87 -50.37 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.438 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 128.51 42.43 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -171.8 151.27 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' ILE . . . -137.65 153.95 49.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.541 ' CE2' HD12 ' A' ' 78' ' ' LEU . 3.7 m-85 -103.57 110.44 22.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.502 HD23 ' CG ' ' A' ' 66' ' ' PHE . 23.3 tp -108.59 138.26 45.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -130.87 120.02 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.3 m-85 -86.85 142.59 27.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -62.91 -39.34 94.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.54 -179.46 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -93.25 -41.1 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.479 ' N ' ' HD2' ' A' ' 97' ' ' ARG . 10.8 t0 -69.31 -47.0 65.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 68.7 m -41.06 -43.66 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -65.71 -55.19 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.49 -45.26 56.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -60.14 -69.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 69' ' ' PHE . . . -54.63 -20.03 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -77.92 -53.59 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 33.7 t -80.35 -9.54 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.508 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -95.84 -17.79 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.3 mt -113.17 -44.29 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.489 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 64.6 t60 -48.61 102.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 64.61 36.81 8.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 105' ' ' SER . 2.2 mp0 -128.85 -43.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -98.81 157.39 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.2 m -134.97 96.22 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.5 mt -52.35 154.79 4.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.61 4.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.98 -1.68 41.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.1 mmt -112.86 118.02 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -63.06 -34.08 76.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -99.06 156.69 35.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.489 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 54.2 Cg_endo -69.72 178.03 4.96 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.449 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.3 tt -86.99 132.98 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -105.51 119.98 40.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 26.0 t -131.47 113.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -124.92 154.9 71.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.75 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.2 p-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -56.0 -35.71 67.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -87.31 12.33 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.39 170.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.23 123.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 17.2 tttt -81.25 104.04 11.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.59 125.5 30.08 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -108.36 120.22 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 t -102.37 135.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.95 33.38 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 88.1 mm-40 -134.26 42.12 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.78 114.07 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 162.77 40.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -82.02 115.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.92 -29.78 1.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.6 mt -100.28 163.07 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.01 -175.27 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.32 -22.52 19.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.2 -24.73 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 4.6 t70 -100.34 -15.76 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 96.6 mt -90.74 -38.54 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 9.1 ttmt -49.33 -46.18 77.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.592 0.711 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -44.84 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.464 HD22 ' CE ' ' A' ' 111' ' ' LYS . 72.5 mt -70.29 -55.19 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CD1' HD22 ' A' ' 92' ' ' LEU . 24.5 m-85 -57.78 -25.47 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -81.82 0.03 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -83.43 -28.26 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 93.9 m-85 -99.69 -46.02 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 177.22 40.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.81 147.39 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 73' ' ' TYR . 23.1 mt -95.48 143.43 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.441 ' N ' HG21 ' A' ' 72' ' ' ILE . 16.9 t80 -100.03 -29.79 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -169.31 135.3 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.15 126.71 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 m -139.29 132.66 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.5 t -99.62 127.2 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.4 mt -76.37 137.69 39.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -137.81 153.79 49.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.57 -179.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -120.73 -47.2 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.9 mt -68.43 -44.42 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.8 p -102.46 -25.77 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.49 24.64 71.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.02 146.92 23.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.483 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 7.0 t-80 -57.05 99.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -52.66 -48.8 66.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.483 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 123.16 39.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 1.9 m -156.27 160.43 39.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.7 148.34 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.485 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 33.8 m-85 -98.4 122.32 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 66' ' ' PHE . 25.5 tp -108.93 138.42 45.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.3 m -127.86 110.63 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.441 ' CE2' HD23 ' A' ' 92' ' ' LEU . 9.5 m-85 -85.29 142.22 29.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.1 p -67.34 -26.51 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.88 150.73 39.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.62 -62.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 99' ' ' SER . 3.3 m-20 -45.88 -58.91 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' ASP . 46.3 m -35.26 -45.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.404 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -66.81 -53.85 28.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.83 -52.47 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -53.37 -69.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . . . -48.62 -38.79 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.55 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 13.0 t -76.14 -1.58 26.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.483 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . . . -100.18 -19.22 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 mt -116.35 -36.41 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.97 118.72 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 40.53 34.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.483 ' NE2' ' HA ' ' A' ' 106' ' ' ALA . 5.2 mt-30 -129.11 -40.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' CE ' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -100.5 154.74 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.3 m -128.68 109.81 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 65' ' ' LEU . 36.7 mt -59.86 155.85 39.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.72 2.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.48 16.88 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 34.9 mmm -124.12 115.69 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -61.11 -34.13 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -99.99 153.85 37.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 176.76 6.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.6 tt -91.39 135.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -111.33 119.79 40.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.2 t -129.69 115.57 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -121.41 148.19 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.701 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 87.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -55.2 -40.66 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -106.2 39.47 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.35 178.26 2.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 47' ' ' LYS . 45.4 mt -137.89 148.12 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.562 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 6.4 ttmt -107.36 114.49 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 96.0 mt -89.88 120.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 31.3 t80 -102.27 131.65 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 t -106.09 137.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.05 28.22 4.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 121' ' ' GLN . 5.4 mm-40 -133.31 41.84 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.9 mt -99.96 115.82 65.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -171.29 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -103.18 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.99 -29.14 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.39 156.67 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.09 -175.02 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' HG22 ' A' ' 77' ' ' VAL . 16.3 mt-10 -57.31 -20.74 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.8 -16.0 54.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.3 m-20 -103.27 -20.16 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 32.1 mt -89.72 -35.25 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 12.8 tttp -48.22 -46.69 67.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.8 Cg_exo -47.99 -47.68 18.44 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 HD13 ' CE ' ' A' ' 111' ' ' LYS . 19.2 mt -65.8 -59.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -56.46 -25.55 51.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 0.07 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -87.0 -20.52 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 103' ' ' ALA . 83.2 m-85 -102.32 -50.49 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.19 169.32 36.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -71.91 126.88 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 22.1 mt -71.6 161.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.436 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 23.2 t80 -114.95 -41.42 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -163.35 117.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.5 tp -115.34 136.29 53.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 m -149.76 137.24 19.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.451 HG22 ' CG ' ' A' ' 59' ' ' GLU . 97.1 t -100.53 138.77 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.7 mt -92.57 141.67 28.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -138.26 160.01 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.24 179.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -115.34 -54.91 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.7 mt -62.23 -40.57 96.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.6 p -103.9 -43.08 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.55 28.64 38.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 86' ' ' HIS . 25.8 mt -99.21 133.6 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.51 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 26.0 t-80 -35.75 109.38 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -65.54 -38.65 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.51 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 120.28 37.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 1.8 p -157.39 163.08 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.25 145.97 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.4 m-85 -96.62 113.64 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.9 tp -106.24 127.71 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 m -115.12 127.9 55.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -101.16 151.07 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 79.6 m -65.14 -47.31 77.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 11.0 ptt180 -73.65 -40.08 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 0.9 OUTLIER -59.59 -57.36 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -40.82 -39.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.36 53.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -53.24 -44.46 68.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.27 -70.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 69' ' ' PHE . . . -48.42 -42.23 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.54 -57.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -76.81 -9.84 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.525 ' HB1' ' CE2' ' A' ' 69' ' ' PHE . . . -100.03 -15.07 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 103' ' ' ALA . 60.7 mt -111.29 -43.75 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.433 ' N ' ' OE1' ' A' ' 110' ' ' GLN . 59.2 t60 -50.9 98.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 69.72 33.98 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.46 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 14.8 mp0 -125.02 -44.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 112' ' ' THR . 0.0 OUTLIER -100.3 156.21 17.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 60.6 m -134.2 100.27 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.7 mt -54.41 154.26 8.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 113.17 3.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.39 13.82 34.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mmm -123.25 97.12 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -43.63 -35.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 153.28 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.9 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.298 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.6 tt -87.96 145.68 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 52.7 mt-30 -119.49 119.35 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 48' ' ' LEU . 22.3 t -128.42 134.32 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -144.58 151.13 49.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 85.41 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 45' ' ' ALA . 5.8 p-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -61.18 -32.88 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -93.0 4.94 53.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' OD2' ' A' ' 42' ' ' ASP . . . -43.97 162.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mt -133.84 148.98 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.509 ' HE3' ' CD1' ' A' ' 91' ' ' PHE . 17.6 tttt -105.18 103.28 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -80.3 138.38 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 53.8 t80 -119.03 137.5 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.7 t -113.31 133.29 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -125.3 29.03 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 1.3 mp0 -130.97 43.87 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.497 HG22 ' CE1' ' A' ' 86' ' ' HIS . 29.9 mt -106.55 114.15 62.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.733 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.67 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.19 121.49 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.49 -27.81 3.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -100.55 157.7 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.13 -175.27 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -56.41 -19.04 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.57 -20.56 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 26.3 t70 -103.03 -14.68 16.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 79.5 mt -93.24 -30.94 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.595 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.5 ttmt -55.39 -45.19 99.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -48.0 -54.8 4.7 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.307 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.89 -50.55 70.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 22.1 m-85 -61.43 -26.13 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -83.25 -2.68 56.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.31 -22.06 30.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -102.47 -39.4 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.47 173.81 45.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -74.76 128.03 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.317 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 94.8 mt -74.6 152.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -106.41 -42.88 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -158.83 118.28 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 tp -118.96 126.51 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -142.65 130.16 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.01 135.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -82.57 140.55 33.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -139.64 154.14 47.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.65 175.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -109.51 -41.48 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.45 -40.36 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -100.69 -28.34 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.45 17.88 62.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.3 mt -87.74 172.33 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' CE1' HG22 ' A' ' 53' ' ' ILE . 9.2 t-80 -70.32 104.39 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -59.01 -47.85 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.61 42.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.2 p -170.22 162.54 8.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.33 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.28 144.35 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.7 m-85 -94.0 116.52 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.484 HD23 ' CE1' ' A' ' 66' ' ' PHE . 13.0 tp -108.09 131.17 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.6 m -121.88 125.9 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 11.7 m-85 -94.16 162.7 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.9 p -80.44 -31.72 37.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.96 164.6 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -76.34 -29.05 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.445 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 6.3 t0 -71.33 -55.91 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -42.8 -38.16 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.454 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -71.51 -56.93 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.8 mt -47.21 -50.59 20.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 106' ' ' ALA . 23.0 mtpt -59.21 -68.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.64 -30.46 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.03 -61.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -76.31 -2.71 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.02 -24.89 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.6 mt -109.5 -39.52 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -49.0 104.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 59.96 36.69 21.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -127.33 -43.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -99.57 158.5 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.5 m -134.9 103.62 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.57 155.54 28.5 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.23 . . . . 0.0 112.368 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.41 3.63 58.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -116.13 107.92 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -56.76 -32.09 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 152.66 38.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.463 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -91.56 129.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -105.92 119.72 39.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.467 ' CA ' ' HE2' ' A' ' 123' ' ' LYS . 41.5 t -131.08 120.83 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -132.62 154.96 81.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.72 84.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.7 p -120.18 158.48 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.3 m 45.24 47.99 10.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.27 -107.44 1.65 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 m 55.56 41.37 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 t -108.45 -56.13 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.8 -137.75 2.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.6 m -73.94 142.19 79.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 159.59 52.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 48.8 mtt -123.64 133.1 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 8.0 ptmm? -111.06 -175.6 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.33 149.53 21.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -62.38 -30.53 71.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.55 31.38 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.93 177.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mt -143.03 130.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HE2' ' CG ' ' A' ' 91' ' ' PHE . 36.9 tttt -92.3 103.58 16.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.9 mt -79.38 148.61 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -125.8 130.49 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.9 t -107.75 133.91 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.04 32.62 4.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 4.7 tp-100 -134.05 40.07 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 90' ' ' ALA . 37.4 mt -100.11 113.7 65.38 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -167.53 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 131.12 54.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.47 -16.18 9.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -103.21 177.25 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -153.35 -179.71 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -56.1 -21.85 24.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.26 -20.08 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.98 -13.29 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 68.0 mt -98.03 -28.9 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.0 mttp -56.22 -45.51 99.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.98 -50.08 12.57 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.94 -50.99 44.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD1' HD21 ' A' ' 92' ' ' LEU . 23.8 m-85 -60.91 -24.36 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -80.84 -2.49 47.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -82.58 -13.63 56.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 91.1 m-85 -108.13 -32.1 7.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.83 -171.46 44.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.13 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.04 152.75 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 45.9 t80 -105.64 -37.71 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -161.7 138.09 8.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.56 110.35 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -122.46 136.37 54.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.9 t -97.65 134.83 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 mt -86.33 123.46 31.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -130.78 144.99 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 6.1 m-20 -52.57 179.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.1 tmt_? -118.92 -62.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.9 -41.71 58.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.7 p -105.19 -40.06 5.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.28 15.09 72.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.9 mt -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -38.92 110.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CD ' ' OD1' ' A' ' 80' ' ' ASP . 2.7 mtmp? -60.37 -43.01 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.41 36.7 0.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.9 p -161.91 161.82 28.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 53' ' ' ILE . . . -158.38 156.79 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.483 ' CG ' ' HE2' ' A' ' 47' ' ' LYS . 37.3 m-85 -103.65 123.17 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 66' ' ' PHE . 9.5 tp -113.37 131.54 55.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.8 m -121.08 140.02 52.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 9.5 m-85 -110.15 141.25 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.4 -27.71 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.81 157.25 26.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -67.19 -59.29 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 99' ' ' SER . 53.4 m-20 -46.46 -54.36 9.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 74.7 m -35.72 -46.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.02 62.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.27 -51.64 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ALA . 27.1 mtpp -62.44 -68.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.537 ' HB3' ' CD2' ' A' ' 69' ' ' PHE . . . -47.02 -31.87 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.63 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 t -75.63 -2.57 29.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.521 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.91 -23.67 14.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.28 -39.22 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -48.63 107.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 58.46 40.54 23.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -129.03 -45.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.02 159.95 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.8 m -134.25 94.2 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.3 mt -51.81 155.13 3.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.93 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.32 2.49 47.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.4 mmt -116.82 105.52 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -51.84 -35.11 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -100.05 160.05 28.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.425 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.9 Cg_endo -69.71 177.18 5.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -87.13 131.78 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -102.7 120.25 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.6 t -131.6 120.53 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -130.53 155.4 81.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 126' ' ' ALA . 53.0 Cg_endo -69.83 84.39 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.03 91.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 124' ' ' PRO . . . -174.07 155.05 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 126' ' ' ALA . 4.6 m 34.87 50.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.6 -44.52 90.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -39.64 -62.05 1.46 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -113.23 115.75 28.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -133.44 114.16 1.33 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -96.71 132.64 42.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -162.99 153.66 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -156.69 146.55 14.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.98 19.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -157.9 137.3 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.6 t -67.84 175.28 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.0 p -109.73 119.04 38.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 m -85.58 82.49 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.21 -60.09 0.4 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 t 50.26 41.98 24.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 t -92.59 139.67 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.94 172.44 14.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -95.84 143.56 26.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 140.73 43.21 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.3 mtt -116.24 143.75 45.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 pttt -126.19 -175.05 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -104.66 141.37 36.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -55.92 -31.65 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -111.64 39.28 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.37 179.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.6 mt -139.74 131.64 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -94.13 109.78 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.7 mt -82.65 140.35 33.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -119.42 126.04 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.65 136.0 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.01 30.95 4.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 8.1 tp-100 -133.29 40.7 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 90' ' ' ALA . 32.2 mt -102.78 112.45 65.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.99 6.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.348 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' CZ ' HD22 ' A' ' 85' ' ' LEU . 6.7 ttt180 -94.92 118.01 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.81 -26.69 2.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.0 mt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.76 -175.24 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' CG ' ' HG ' ' A' ' 75' ' ' LEU . 2.0 mp0 -57.14 -21.79 35.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.94 -20.0 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 26.5 t70 -100.15 -26.3 13.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 26.3 mt -91.95 -26.71 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.579 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.5 mmtp -55.17 -45.77 99.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.926 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.6 Cg_exo -47.95 -55.24 4.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.61 -51.51 69.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.511 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 24.0 m-85 -58.33 -25.16 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -86.03 -3.39 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.41 -22.16 41.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 106' ' ' ALA . 98.2 m-85 -100.55 -35.25 9.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.53 167.86 39.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -64.69 131.65 47.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 73' ' ' TYR . 23.0 mt -85.98 150.73 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 17.2 t80 -100.04 -37.3 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -170.48 137.45 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 8.5 tp -130.26 119.17 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.2 m -133.66 123.07 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' CG1' ' NE2' ' A' ' 86' ' ' HIS . 91.2 t -86.98 133.02 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 91' ' ' PHE . 23.9 mt -79.33 140.38 37.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -136.11 167.89 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -176.99 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -119.24 -49.83 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.4 -42.2 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.2 p -105.02 -14.24 15.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 54.01 24.73 28.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 HD22 ' CZ ' ' A' ' 55' ' ' ARG . 18.1 mt -92.26 168.27 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.465 ' NE2' ' CG1' ' A' ' 77' ' ' VAL . 20.5 t-80 -70.33 109.06 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -60.91 -51.2 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.05 42.57 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 7.8 p -170.41 164.38 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.44 ' N ' HD11 ' A' ' 53' ' ' ILE . . . -153.98 155.28 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.534 ' CE2' HD12 ' A' ' 78' ' ' LEU . 17.2 m-85 -105.59 111.77 24.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.424 HD23 ' CG ' ' A' ' 66' ' ' PHE . 14.7 tp -99.97 133.66 44.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 m -121.68 127.23 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 15.0 m-85 -102.27 147.43 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 p -62.21 -34.67 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.62 -177.67 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -32.44 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.68 -49.93 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m -48.88 -42.91 38.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -64.59 -56.63 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 mt -44.19 -49.5 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -59.69 -69.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.66 -29.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.17 -54.03 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 t -79.75 -7.08 58.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . . . -99.4 -20.19 16.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.1 mt -109.09 -48.97 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -42.25 108.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 54.8 41.1 32.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -131.49 -44.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.07 174.44 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.2 m -152.4 108.88 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.83 157.8 78.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.85 4.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.09 26.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.9 mmt -106.4 117.15 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -91.34 158.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.8 tt -88.53 127.09 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.67 121.5 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.3 t -132.48 124.48 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -136.05 152.37 75.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.48 140.22 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.58 114.1 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.3 p -52.81 -46.51 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.13 143.9 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 46.12 -162.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -140.96 178.52 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.65 83.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -131.76 136.6 47.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -122.56 149.96 43.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -145.14 84.29 0.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.67 54.72 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.5 m -152.43 177.47 10.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.9 p -127.35 -43.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.0 t -171.86 155.32 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.2 m -152.38 176.72 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.51 47.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' SER . 52.0 m -134.56 137.77 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' SER . 33.8 t -35.76 103.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.59 168.72 26.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.7 m -129.95 144.35 52.74 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.601 0.715 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 120.4 7.19 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.28 140.46 46.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -104.86 -175.0 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.9 148.35 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -55.85 -40.36 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -107.77 35.96 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.7 172.89 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.2 mt -135.64 148.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -105.21 105.74 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -79.96 137.59 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 89' ' ' CYS . 11.6 t80 -118.54 126.69 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -105.61 133.22 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.74 32.36 4.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 35.6 tp60 -133.54 40.84 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 mt -106.3 113.5 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -165.6 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -104.06 136.66 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.85 -24.32 9.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 mt -101.66 156.9 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -134.25 -177.55 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -53.06 -28.43 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.72 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.49 -15.17 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.97 -27.32 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 22.5 ttmt -54.92 -45.21 99.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.92 -55.17 4.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.63 -50.69 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.3 -24.51 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -83.25 -0.06 47.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.22 -17.44 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CD2' ' CB ' ' A' ' 103' ' ' ALA . 87.9 m-85 -103.93 -41.71 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.19 -174.94 39.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -81.12 130.69 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 21.6 mt -77.4 160.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 24.5 t80 -115.71 -37.97 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -163.99 117.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.1 tp -116.75 119.14 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -134.68 136.4 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 78' ' ' LEU . 85.3 t -97.09 137.16 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' CE2' ' A' ' 91' ' ' PHE . 26.9 mt -89.83 130.94 36.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -138.27 155.47 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -53.43 177.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 82' ' ' LEU . 19.1 ptt-85 -116.09 -43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 81' ' ' ARG . 5.3 mp -68.63 -43.72 75.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.1 p -102.13 -45.13 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.8 27.59 34.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.49 135.61 38.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.19 100.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -58.99 -44.15 91.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 125.7 42.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 1.6 p -166.75 159.3 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.32 147.04 24.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 78' ' ' LEU . 8.0 m-85 -97.3 110.91 23.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.7 tp -100.08 134.56 42.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 m -123.95 125.29 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -99.06 154.99 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.3 -46.82 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.08 175.55 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -84.67 -42.77 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 101' ' ' LEU . 8.8 t0 -57.43 -57.75 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' ASP . 12.9 m -37.66 -45.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.35 86.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 98' ' ' ASP . 15.1 mt -57.27 -48.39 79.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -58.76 -67.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.521 ' CB ' ' CD2' ' A' ' 69' ' ' PHE . . . -51.89 -39.03 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -57.77 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -77.28 -7.42 55.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -96.94 -17.83 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 mt -113.53 -39.34 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -50.54 107.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 59.06 38.94 23.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -128.89 -44.51 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -100.02 154.52 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.1 m -134.82 91.76 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 39.9 mt -46.79 155.43 0.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 112.02 2.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.18 0.85 33.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -115.85 105.52 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.23 -32.22 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -100.0 154.36 37.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.56 5.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -87.69 127.34 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.79 119.74 39.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.9 t -130.07 120.98 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -131.19 153.2 81.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.76 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.732 2.288 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -34.73 130.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -110.68 86.11 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 78.1 p -63.33 -53.02 59.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -161.47 115.98 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -127.06 -53.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -63.42 -57.57 9.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.87 125.74 10.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -163.37 130.66 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 m -38.33 134.66 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -91.33 -149.96 24.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.421 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 109.51 2.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t -70.42 -58.44 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.5 p 42.49 41.4 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.2 p -46.7 -44.14 18.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.2 m -68.47 163.05 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.41 39.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.4 p -65.98 164.15 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -159.61 172.61 17.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.08 -103.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.97 144.36 39.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 126.4 13.33 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.376 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.5 mtp -129.47 125.46 36.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -109.16 -177.66 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -105.48 166.4 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -71.46 -34.8 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.91 36.62 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.82 178.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 47' ' ' LYS . 53.9 mt -141.18 149.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 20.5 tttt -109.72 107.11 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 mt -78.78 143.52 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -124.56 120.4 31.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.8 t -101.74 133.33 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -124.98 28.54 5.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 1.3 mp0 -130.64 43.82 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' A' ' 86' ' ' HIS . 27.6 mt -105.18 112.33 65.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.635 2.224 . . . . 0.0 112.356 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -105.23 117.11 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.67 2.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 mt -100.76 158.42 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.76 -179.35 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -54.13 -20.03 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -78.03 -25.61 47.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 -9.61 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.453 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 70.7 mt -96.09 -31.0 13.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 26.2 mtpt -52.46 -45.71 95.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -54.45 5.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.65 -54.53 38.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.512 ' CG ' HD21 ' A' ' 92' ' ' LEU . 23.5 m-85 -60.07 -23.38 63.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.24 -0.88 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -85.99 -15.68 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 81.2 m-85 -110.16 -57.55 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -145.54 -179.34 21.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -81.73 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 73' ' ' TYR . 95.4 mt -82.0 137.53 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 3.6 t80 -100.03 -34.29 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -165.07 127.76 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tp -128.98 119.86 25.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -136.9 139.29 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.503 HG12 ' CD2' ' A' ' 86' ' ' HIS . 18.5 t -100.6 149.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 91' ' ' PHE . 10.5 mt -98.32 129.31 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HB3' ' C ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -120.48 179.15 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -179.25 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -108.49 -25.59 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.23 -42.68 8.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -107.81 -19.8 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' C ' ' HB3' ' A' ' 79' ' ' LYS . . . 55.67 33.54 59.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.425 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 86' ' ' HIS . 47.6 mt -94.93 135.03 36.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.549 ' CE1' HG23 ' A' ' 53' ' ' ILE . 14.7 t-80 -34.85 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.64 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.84 43.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.7 163.52 12.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.62 147.78 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 78' ' ' LEU . 18.9 m-85 -98.12 115.96 29.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.512 HD21 ' CG ' ' A' ' 66' ' ' PHE . 20.2 tp -102.98 133.36 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -122.89 118.21 27.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -93.89 149.57 21.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 81.5 m -63.87 -40.81 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.11 177.85 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -89.54 -41.33 12.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -61.67 -53.38 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.9 m -40.65 -35.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.07 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -45.75 -46.42 15.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -63.55 -69.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . . . -47.87 -27.33 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.401 ' NE2' ' HD3' ' A' ' 124' ' ' PRO . 6.6 tt0 -71.1 -52.61 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.9 t -79.72 -6.29 56.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.531 ' HB1' ' CE2' ' A' ' 69' ' ' PHE . . . -98.14 -25.63 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.69 -46.15 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -45.69 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.81 39.47 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -130.78 -44.31 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -97.0 157.03 16.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.0 m -134.75 94.62 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 41.5 mt -55.58 156.87 8.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.36 9.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 98.85 -6.59 60.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -109.48 107.42 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -53.3 -34.24 56.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -98.59 161.22 25.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -102.86 133.1 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.78 119.65 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.5 t -131.5 116.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.409 ' CB ' ' NZ ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -128.78 153.88 79.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.71 88.15 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.8 -51.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -37.59 -71.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 83.5 p -87.04 169.2 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -117.25 101.38 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 60.99 13.03 32.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.67 132.48 55.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 150.81 160.03 9.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -113.57 -178.91 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 85.9 p -166.57 156.88 12.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.63 63.74 4.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -44.42 2.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.8 t -149.5 149.53 30.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.1 m -56.47 149.65 16.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.1 p -69.58 160.22 31.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.3 m -156.58 134.59 11.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -128.98 -85.75 0.45 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t 60.69 42.4 13.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.822 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 m -91.06 103.39 16.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.02 -159.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.85 147.99 37.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.616 0.722 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 135.35 30.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mmt -120.99 128.9 53.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 43.1 pttt -118.1 -176.55 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -102.01 157.41 16.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -64.61 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.75 37.61 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.95 179.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.7 mt -139.72 136.47 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -99.93 108.0 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.8 mt -77.83 139.39 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -117.79 121.62 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.8 t -102.34 136.93 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.02 33.4 2.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 77.1 mm-40 -133.52 41.65 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 mt -110.15 115.0 55.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -173.37 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -99.99 117.33 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.11 -31.51 1.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.61 173.92 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -146.69 -175.05 4.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.65 -20.82 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -74.86 -12.96 60.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -110.17 -15.96 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 65.2 mt -92.53 -35.35 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 mtpm? -50.43 -45.83 84.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.0 Cg_exo -47.94 -55.5 3.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.626 2.218 . . . . 0.0 112.376 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.94 -50.97 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.57 -24.64 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.37 -2.74 50.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.65 -23.26 42.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 90.9 m-85 -100.17 -44.03 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.39 161.61 33.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -54.89 141.12 34.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 73' ' ' TYR . 44.9 mt -91.7 153.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 28.9 t80 -101.35 -37.45 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -173.86 136.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 tp -131.38 125.65 33.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 77' ' ' VAL . 18.5 m -135.36 139.04 43.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 76' ' ' THR . 86.6 t -102.06 127.12 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -75.45 131.63 40.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -134.1 161.98 33.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.88 178.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -115.39 -38.65 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.8 -34.24 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.2 p -107.8 -36.14 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.18 27.55 68.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.2 mt -97.31 172.81 7.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.31 109.75 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -62.91 -50.36 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.81 42.42 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 5.9 p -173.05 162.46 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.84 143.93 23.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.1 m-85 -92.79 111.81 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.5 tp -101.71 136.39 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -127.74 115.21 18.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -87.94 152.25 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -67.3 -41.88 84.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.74 162.39 16.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -70.3 -47.15 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.39 -60.16 3.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.1 m -42.48 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.55 -52.12 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.3 -49.16 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 106' ' ' ALA . 37.0 mtpt -60.04 -67.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.79 -40.58 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -61.09 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -73.93 -3.54 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -97.01 -29.08 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.7 mt -104.24 -40.27 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -46.94 111.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 54.66 40.99 32.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.418 ' CD ' ' O ' ' A' ' 106' ' ' ALA . 3.5 tt0 -130.34 -44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -98.18 174.85 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.5 m -155.81 106.46 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.58 155.31 50.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 105.52 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 110.52 18.97 8.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 14.7 mmm -128.31 113.97 16.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -59.11 -36.09 74.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -99.25 153.14 37.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.73 2.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.8 tt -88.02 131.57 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -108.74 119.74 40.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.9 t -132.05 118.68 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -127.6 150.16 72.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.77 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -37.12 132.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -117.49 155.26 30.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.2 p -100.1 -51.24 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.55 -43.88 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 107.22 58.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -108.34 162.76 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -96.54 -146.66 21.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -168.07 148.02 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.0 t -168.21 110.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -152.81 86.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 137.42 35.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.268 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.3 t -122.58 134.97 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.8 m -73.43 108.83 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 p -118.06 -53.76 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.7 m -72.28 134.17 45.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.31 -62.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.534 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -92.26 120.68 33.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.4 p -97.15 176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.55 -167.02 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -59.16 142.66 85.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.26 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.8 ptm -111.83 127.05 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 3.7 ptmm? -104.47 -177.28 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.53 137.41 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' HB3' ' A' ' 44' ' ' ASP . 17.0 p80 -49.47 -35.81 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 8.6 p-10 -111.15 31.45 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.55 177.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.7 mt -134.45 161.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.461 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 25.7 tttt -115.38 108.46 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.16 140.09 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -124.73 126.21 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.6 t -103.31 139.13 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.85 29.91 3.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 15.7 tp60 -132.78 40.41 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.6 mt -102.02 113.72 65.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 ptt-85 -108.37 136.63 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.71 14.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -100.97 169.18 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -143.76 179.31 7.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.73 -20.7 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -76.56 -22.93 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -92.25 -17.03 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 67.7 mt -95.26 -30.04 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.3 mtpt -55.71 -45.57 99.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.8 Cg_exo -47.97 -48.02 17.48 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.74 -53.92 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 21.9 m-85 -58.64 -24.82 61.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.78 -1.27 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -87.13 -18.52 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.489 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 78.7 m-85 -100.52 -47.19 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.92 -170.48 32.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -83.64 122.11 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 73' ' ' TYR . 26.7 mt -70.54 142.93 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 46.3 t80 -101.08 -34.05 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -162.33 133.35 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 tp -138.54 120.03 14.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.5 m -140.15 139.16 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.445 HG13 ' CD2' ' A' ' 86' ' ' HIS . 96.1 t -94.79 132.4 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD11 ' CE2' ' A' ' 91' ' ' PHE . 15.9 mt -79.4 122.89 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -126.44 165.45 19.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.77 178.01 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.6 mmm180 -114.31 -51.45 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mp -72.85 -38.08 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.4 p -102.6 -31.78 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.25 25.0 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' HIS . 86.7 mt -96.98 128.55 44.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.445 ' CD2' HG13 ' A' ' 77' ' ' VAL . 38.7 t-80 -35.32 105.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -59.07 -46.75 87.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.04 42.3 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 p -166.87 167.45 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.94 151.1 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.461 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 17.4 m-85 -101.16 113.72 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.499 HD12 ' CD2' ' A' ' 66' ' ' PHE . 25.7 tp -106.36 134.74 49.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 m -124.36 140.58 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.1 m-85 -111.62 140.76 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.8 p -58.95 -42.3 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.19 149.4 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -57.41 -59.88 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.43 -61.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.4 m -39.17 -40.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.551 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.87 -47.07 69.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.5 -47.01 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 5.9 mtpm? -59.35 -68.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.489 ' HB1' ' CD2' ' A' ' 69' ' ' PHE . . . -51.27 -31.0 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.25 -60.82 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.412 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 5.2 t -78.34 -4.99 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.22 -18.01 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.15 -44.63 3.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.49 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 75.7 t60 -44.64 108.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 56.61 40.86 29.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 1.5 mp0 -129.21 -45.23 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -100.0 179.44 4.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 17.7 m -154.04 108.87 3.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.48 156.94 87.39 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.16 5.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 109.66 -14.99 32.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.8 mmt -104.8 125.44 50.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.97 -33.46 73.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.65 161.29 26.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.66 4.36 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.4 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.7 tt -87.13 134.17 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -105.92 120.94 43.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 23.4 t -134.64 115.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -130.35 155.05 81.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' LYS . . . -46.8 127.39 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -129.11 77.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.9 m -127.49 126.33 42.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -115.01 -42.47 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.81 92.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -157.8 106.17 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -43.93 -92.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.91 140.68 31.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.4 t -148.83 138.61 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.62 84.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 162.72 41.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.7 m -68.93 154.06 42.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.8 t 63.7 39.72 8.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.551 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.6 p -75.57 142.92 42.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.821 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -99.59 -57.55 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.04 93.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 t -95.12 108.86 20.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.8 p -72.5 112.76 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.96 153.04 6.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 39' ' ' PRO . 6.3 t -124.93 136.46 28.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 38' ' ' VAL . 54.0 Cg_endo -69.79 136.06 31.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.3 mmt -125.35 144.77 50.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.2 ptmt -110.56 -174.94 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -112.72 146.91 37.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -58.82 -38.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -109.19 36.34 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.44 174.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.7 mt -141.99 135.04 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.528 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -94.1 123.57 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.8 mt -93.47 122.04 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -105.02 126.73 52.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -106.04 132.36 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.59 36.27 2.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.458 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 75.6 mm-40 -134.59 41.19 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.5 mt -107.63 116.75 57.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -109.24 118.79 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.23 -27.56 2.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.3 mt -99.93 171.12 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -142.7 -174.99 4.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' CD ' ' CG2' ' A' ' 77' ' ' VAL . 6.2 mm-40 -58.67 -20.07 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -68.81 -19.55 64.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 t70 -99.2 -21.5 16.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.539 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 57.7 mt -90.45 -37.93 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mmmp? -47.48 -46.98 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.526 0.679 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.0 Cg_exo -48.01 -55.04 4.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.97 -50.36 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 24.0 m-85 -59.61 -25.37 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.42 -0.16 55.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -88.18 -20.84 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.06 -42.53 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.52 175.01 46.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.13 135.5 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 73' ' ' TYR . 43.9 mt -87.9 156.39 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 16.3 t80 -108.45 -49.96 3.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -145.11 138.82 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HG ' ' CD ' ' A' ' 59' ' ' GLU . 28.4 tp -142.68 121.33 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -144.5 130.89 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG2' ' CD ' ' A' ' 59' ' ' GLU . 26.0 t -84.55 136.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 91' ' ' PHE . 14.3 mt -90.32 128.28 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -126.52 177.56 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.12 169.12 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -108.39 -45.16 3.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.21 -37.63 57.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.7 p -100.05 -46.09 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.7 17.56 59.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 mt -89.96 149.17 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.42 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 6.0 t-80 -54.8 100.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -55.52 -48.06 75.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.2 40.5 0.44 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 3.3 m -156.81 161.5 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.05 141.27 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 78' ' ' LEU . 7.2 m-85 -95.07 113.64 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.4 tp -109.07 138.59 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -129.0 122.37 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.73 139.76 31.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.6 m -55.22 -48.39 73.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.84 161.7 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.8 ptm180 -77.56 -41.06 40.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 1.1 m-20 -56.73 -53.01 62.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 m -48.73 -35.46 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -52.74 28.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.6 mt -47.84 -53.46 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 106' ' ' ALA . 41.7 mttm -55.29 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.45 -30.39 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.77 -63.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -76.41 -2.69 33.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -96.32 -26.92 15.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.3 mt -108.07 -39.51 5.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -48.34 110.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 55.44 41.7 30.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -130.39 -45.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -99.25 158.74 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 m -134.8 92.88 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.8 mt -42.38 155.81 0.25 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.07 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.8 -0.36 39.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 39.5 mmm -106.97 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -52.79 -34.32 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.79 155.52 36.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -171.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.4 tt -95.91 136.19 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.73 119.66 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.11 115.55 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -124.2 150.5 63.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.698 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.8 Cg_endo -69.8 80.57 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -35.24 -52.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -89.96 97.25 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 t -113.45 -48.1 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.58 163.09 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.12 -142.69 13.71 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -57.59 144.04 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 171.72 -66.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.84 161.84 30.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 39.6 m 52.66 36.63 21.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.19 -155.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.19 35.75 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.0 t -59.92 105.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.0 m -99.96 128.34 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t 40.51 42.29 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -56.4 170.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.32 133.85 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -74.18 121.62 21.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.3 p -82.06 -47.43 12.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.91 -118.21 0.58 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.67 143.63 95.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 114.32 3.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.727 2.285 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.0 mtp -93.98 133.68 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -133.79 -174.84 3.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.8 146.68 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 97' ' ' ARG . 18.8 p-10 -114.14 36.8 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.1 mt -142.71 135.29 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.518 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 49.4 tttp -98.08 102.61 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -76.93 148.84 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -128.14 126.85 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.91 128.66 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.51 34.12 3.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 80.4 mm-40 -134.34 41.19 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 62' ' ' LEU . 33.0 mt -107.38 113.94 61.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.92 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.27 133.91 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.01 -26.61 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 mt -99.97 162.43 12.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -136.27 -175.37 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 77' ' ' VAL . 22.4 mt-10 -58.16 -18.31 24.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -80.81 -16.22 54.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 8.1 t70 -96.98 -23.18 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 53' ' ' ILE . 79.0 mt -92.1 -25.54 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.3 tttt -55.1 -45.34 99.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.5 Cg_exo -47.94 -55.63 3.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.93 -52.85 63.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' CD1' HD22 ' A' ' 92' ' ' LEU . 23.9 m-85 -58.06 -26.27 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.49 -4.39 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -79.98 -21.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 88.3 m-85 -105.01 -45.79 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 171.63 40.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -69.72 134.08 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 42.7 mt -82.25 144.95 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 3.7 t80 -100.0 -30.95 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -172.05 137.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 tp -133.42 121.3 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 77' ' ' VAL . 3.7 m -129.26 137.35 51.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 59' ' ' GLU . 96.6 t -102.14 136.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.407 ' N ' HG11 ' A' ' 77' ' ' VAL . 19.1 mt -85.59 128.26 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -136.43 149.71 48.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.35 170.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -111.68 -40.01 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.47 -35.71 53.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.2 p -100.96 -33.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.77 21.03 79.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.6 164.38 13.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -72.78 99.88 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -51.28 -50.77 58.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.93 40.22 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -155.01 163.6 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -163.07 138.01 6.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 45.3 m-85 -92.77 119.89 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' A' ' 66' ' ' PHE . 34.2 tp -103.79 135.96 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.8 m -127.33 118.24 23.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.458 ' CE2' HD23 ' A' ' 92' ' ' LEU . 20.5 m-85 -94.84 144.79 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.13 -38.66 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.7 176.26 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -89.85 -34.26 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 11.3 t0 -61.69 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.5 m -40.49 -37.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 104' ' ' GLN . . . -67.87 -50.69 54.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.62 -47.0 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 24.2 mtmt -60.71 -68.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 69' ' ' PHE . . . -52.17 -36.7 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 100' ' ' ALA . 4.4 tt0 -61.43 -64.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.6 m -74.24 -4.78 38.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.33 -22.1 16.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.5 mt -108.59 -40.44 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -49.79 108.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 56.97 40.25 28.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -128.08 -45.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -100.16 159.42 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 55.1 m -134.13 96.77 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.3 mt -53.32 156.41 4.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.48 0.78 62.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -114.13 108.73 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -56.62 -32.35 65.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.43 ' NE ' ' HD2' ' A' ' 119' ' ' PRO . 15.4 mmm180 -99.92 156.28 35.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.43 ' HD2' ' NE ' ' A' ' 118' ' ' ARG . 53.8 Cg_endo -69.74 -176.63 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 5.0 tt -90.65 138.58 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -111.49 119.59 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.2 t -131.53 125.78 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -137.43 154.42 75.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.72 84.0 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.28 . . . . 0.0 112.38 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -34.05 -49.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.29 107.36 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -107.1 170.93 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -164.25 112.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -145.1 161.42 28.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -96.36 145.18 25.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -137.34 131.05 5.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 56.43 41.47 28.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 77.2 p -106.55 80.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.39 -179.54 39.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.88 48.06 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.742 2.295 . . . . 0.0 112.365 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.7 t -77.78 165.41 24.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.9 t -63.85 100.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.8 m -114.15 113.66 24.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 t -117.59 93.49 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.25 -147.76 23.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 t -71.77 -50.11 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 t -69.23 100.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.75 -49.9 5.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 39' ' ' PRO . 2.7 t -37.79 134.92 0.8 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.57 0.7 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 38' ' ' VAL . 53.4 Cg_endo -69.82 98.96 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.325 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.7 ptm -122.16 135.38 54.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HD2' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -113.55 -174.9 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -88.26 157.05 18.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -64.43 -18.28 64.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.3 27.74 7.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 179.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -142.38 138.87 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -101.14 121.53 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.6 136.42 33.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -118.9 117.23 28.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.44 134.64 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.41 30.28 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 119' ' ' PRO . 4.8 tp-100 -131.78 42.44 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.412 HD11 ' C ' ' A' ' 89' ' ' CYS . 21.1 mt -100.5 113.68 65.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.45 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -104.41 118.37 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.1 -17.25 4.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -101.9 164.15 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -141.09 -176.33 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -59.99 -19.13 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -82.53 -9.26 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -107.1 -18.37 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.55 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 82.3 mt -96.09 -19.05 19.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 tttp -63.78 -45.21 81.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -48.0 -50.65 11.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.33 -49.36 67.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 17.0 m-85 -64.27 -22.61 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.6 -0.18 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.14 -18.4 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CG ' ' HB1' ' A' ' 103' ' ' ALA . 90.6 m-85 -100.94 -42.92 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.64 -178.91 44.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -71.89 134.91 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 73' ' ' TYR . 64.8 mt -81.47 159.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HD2' ' A' ' 41' ' ' LYS . 6.2 t80 -114.47 -38.07 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -169.22 126.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.14 120.6 33.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 77' ' ' VAL . 8.0 m -135.98 139.08 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' N ' HG22 ' A' ' 76' ' ' THR . 72.3 t -97.13 135.2 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD13 ' CE2' ' A' ' 91' ' ' PHE . 40.6 mt -84.91 133.19 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -136.13 151.04 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.67 -179.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -115.69 -39.2 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.3 -37.15 53.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.9 p -107.89 -13.72 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 48.12 25.7 4.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -96.0 160.11 14.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.431 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 17.7 t-80 -62.53 102.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -61.42 -39.08 89.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.431 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 118.07 41.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.412 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -160.5 155.58 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.411 ' CB ' ' CD1' ' A' ' 53' ' ' ILE . . . -150.14 142.63 24.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 78' ' ' LEU . 7.2 m-85 -94.29 111.06 22.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 tp -103.0 138.56 39.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 94' ' ' TYR . 90.5 m -124.18 139.7 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.418 ' N ' HG22 ' A' ' 93' ' ' THR . 9.5 m-85 -114.52 137.61 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 96' ' ' ALA . 3.1 p -62.67 -40.56 97.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' N ' ' SG ' ' A' ' 95' ' ' CYS . . . -94.95 177.37 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -97.78 -32.15 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.85 -48.53 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.3 m -40.15 -47.83 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.0 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.9 mt -54.04 -48.16 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -62.86 -69.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.401 ' HB1' ' CG ' ' A' ' 69' ' ' PHE . . . -49.17 -25.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.96 -65.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.8 t -71.28 -4.67 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.02 -21.24 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 92.2 mt -110.6 -47.62 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -41.45 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 54.76 41.47 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.89 -44.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.0 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -146.43 105.59 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.98 155.48 63.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.56 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.44 -7.31 26.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -111.78 109.49 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.16 -34.49 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -94.0 155.84 39.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.6 Cg_endo -69.8 175.38 8.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.9 tt -86.65 125.82 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.23 119.88 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.3 t -129.37 118.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -124.14 147.36 54.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -37.37 95.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' PRO . . . -129.58 121.51 27.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.8 t -65.1 -49.18 70.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.76 113.18 26.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -98.63 144.81 17.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -86.02 139.81 30.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 159.71 91.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.71 173.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.8 m -60.65 155.33 19.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -38.06 -89.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.41 65.02 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.5 t -115.35 -59.14 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.6 p -66.64 -59.51 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.439 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.1 t -102.69 83.35 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.5 p -89.01 89.45 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.69 79.34 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.5 p -108.22 138.71 44.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.1 p -40.12 134.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.35 84.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 m -90.91 145.65 32.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.663 0.744 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' MET . 54.0 Cg_endo -69.75 -24.52 29.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' PRO . 9.5 mtt -32.0 125.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 pttt -74.96 -174.36 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -101.05 148.42 25.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -66.12 -29.93 70.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.95 28.51 8.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.25 178.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 mt -121.08 134.02 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.526 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 32.6 tttt -94.79 104.7 16.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.6 mt -77.14 138.75 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 89' ' ' CYS . 24.9 t80 -122.04 123.24 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.63 133.0 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.48 31.67 3.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 15.7 mm100 -134.13 39.25 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.4 116.13 63.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -105.48 120.96 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.36 -23.23 3.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.3 164.35 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.46 -174.99 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' CD ' HG23 ' A' ' 77' ' ' VAL . 25.5 mp0 -56.46 -22.9 35.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.58 -18.88 60.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.98 -15.26 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 61.2 mt -95.88 -33.94 12.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.584 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 11.7 mtmm -52.68 -45.53 96.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -47.93 -50.35 11.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.5 -50.84 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.432 ' CD1' HD21 ' A' ' 92' ' ' LEU . 25.9 m-85 -58.58 -24.11 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -82.62 -0.01 45.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.53 -20.44 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.547 ' CE2' ' HB1' ' A' ' 106' ' ' ALA . 89.5 m-85 -108.41 -47.57 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -156.16 174.11 34.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -79.67 127.28 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.7 mt -71.39 152.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 39.0 t80 -118.89 -48.53 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -142.99 119.55 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 tp -128.51 123.91 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -142.89 118.52 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.416 HG23 ' CD ' ' A' ' 59' ' ' GLU . 91.3 t -76.71 132.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 91' ' ' PHE . 28.6 mt -79.84 129.44 34.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.57 149.55 43.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.21 -177.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -120.78 -43.11 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.51 -33.68 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 -33.76 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.51 76.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.28 170.1 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -79.29 93.87 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -50.53 -45.08 56.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.43 40.88 0.41 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 4.3 m -156.2 163.47 39.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.58 144.59 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 22.2 m-85 -98.79 114.55 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 66' ' ' PHE . 15.4 tp -106.33 143.82 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.8 m -131.8 123.32 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 11.8 m-85 -95.67 123.17 39.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.1 p -35.21 -39.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.32 165.47 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 16.1 ptt-85 -76.32 -38.12 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 32.0 m-20 -59.74 -54.81 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 29.5 m -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.454 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -69.77 -56.69 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.045 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.4 mt -43.27 -49.24 6.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -61.84 -70.07 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.11 -27.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.79 -58.49 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -77.73 -6.14 53.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.547 ' HB1' ' CE2' ' A' ' 69' ' ' PHE . . . -99.78 -20.51 16.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.074 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.2 mt -110.55 -40.43 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.483 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 69.5 t60 -50.35 102.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 63.88 37.78 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 2.2 mp0 -126.96 -44.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.04 159.05 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 83.0 m -134.64 98.02 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.7 mt -50.21 153.6 2.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 109.66 2.37 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.16 7.7 32.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 29.3 mmm -118.24 115.69 25.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.11 -37.03 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -99.89 158.19 32.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.95 2.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.462 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.3 tt -91.02 141.3 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -112.09 119.81 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.74 117.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -130.77 152.84 81.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.11 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.39 147.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -160.86 161.74 31.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.6 m -112.84 79.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -143.8 173.66 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -113.97 54.1 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -75.26 119.29 19.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.45 ' C ' ' OE1' ' A' ' 132' ' ' GLU . . . -86.3 -145.63 8.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 131' ' ' GLY . 2.3 mp0 -133.2 129.62 38.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.7 m -125.69 153.94 43.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.792 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.14 132.9 3.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 155.44 66.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.37 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m -79.93 -42.87 23.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.1 p -92.46 118.36 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -132.05 132.78 43.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t 68.0 39.54 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.33 -151.88 38.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' GLY . 15.4 m -93.93 151.85 19.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.863 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' SER . 96.7 p -37.5 -31.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 100.8 61.21 0.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.04 141.9 40.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 115.78 4.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -120.98 146.28 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -129.25 -175.14 3.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.42 154.8 18.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -64.97 -27.09 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -113.42 28.01 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 178.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -141.26 144.03 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -105.81 115.37 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.0 mt -85.51 142.94 28.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 42.8 t80 -123.0 132.21 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 120' ' ' ILE . 2.7 t -106.48 132.5 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.61 28.81 5.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 60.2 mm-40 -134.42 37.7 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mt -101.71 113.36 65.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -172.74 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -102.44 118.22 36.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.9 -28.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.7 mt -99.93 176.65 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.952 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -145.49 -176.27 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -60.68 -23.74 65.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -71.84 -24.5 61.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.8 t70 -91.27 -21.78 20.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.76 -25.79 18.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 28.4 tttp -55.23 -45.78 99.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.0 -55.51 3.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.18 -56.35 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -57.34 -28.17 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.93 -6.2 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.15 -14.1 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.461 ' CE1' ' HB1' ' A' ' 106' ' ' ALA . 40.0 m-85 -110.27 -34.26 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.66 175.89 47.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -78.75 125.81 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 60.0 mt -70.13 150.09 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 8.2 t80 -104.92 -32.98 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -166.01 126.6 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 tp -128.08 120.51 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.1 t -91.67 139.61 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -89.83 120.3 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -128.32 154.05 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.99 176.72 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -118.67 -43.72 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.88 -42.94 76.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.6 p -100.26 -33.02 10.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.59 21.31 77.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.86 148.57 22.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -56.45 103.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -50.41 -51.39 46.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.66 42.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 2.0 p -171.66 162.38 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.4 148.59 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.77 117.58 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.8 tp -109.84 138.89 45.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -126.24 130.29 50.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 9.6 m-85 -101.99 149.14 24.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.7 m -70.88 -39.17 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.87 160.62 15.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -76.44 -33.36 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 4.5 t70 -73.04 -52.19 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -40.07 -44.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.59 -53.13 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.8 mt -47.44 -53.25 14.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -56.24 -67.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.33 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.78 -52.97 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 t -80.11 -6.47 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.461 ' HB1' ' CE1' ' A' ' 69' ' ' PHE . . . -99.37 -21.0 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.31 -45.67 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -47.04 111.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 53.55 40.34 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.78 -44.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -98.96 171.23 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.3 m -147.11 107.09 3.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.1 mt -62.77 154.45 75.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.664 0.745 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 108.12 2.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.85 6.87 24.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.1 mmt -119.64 114.05 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -56.16 -37.86 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 162.04 22.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.49 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.453 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -95.3 144.15 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 52' ' ' GLN . 2.4 mp0 -113.37 119.85 39.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.4 t -130.38 115.9 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -125.39 155.33 71.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -42.67 166.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . 56.19 50.13 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -164.55 119.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -98.02 -54.94 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 158.43 -168.29 34.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.73 162.85 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -159.4 90.8 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.0 161.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 39.5 t -122.57 159.31 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 165.25 146.18 4.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 94.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.251 . . . . 0.0 112.377 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.8 p -95.86 -38.49 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 22.8 t -163.18 112.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.4 p -111.66 118.16 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -99.34 98.66 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.64 70.91 0.6 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.4 m -84.53 131.91 34.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -92.03 134.0 35.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.56 146.5 5.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.3 m -80.1 139.55 53.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 140.97 44.11 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.787 2.325 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.6 mtp -96.44 147.57 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -131.36 -174.99 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -100.2 143.98 29.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -58.27 -38.24 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -108.33 38.0 2.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mt -144.1 127.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 29.2 tttt -87.36 101.85 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.56 140.33 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.15 124.4 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.8 t -103.21 135.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.46 31.5 3.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 91.4 mm-40 -134.36 40.43 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.486 HG21 ' CE1' ' A' ' 86' ' ' HIS . 44.9 mt -104.5 119.05 55.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -178.76 2.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -96.72 117.33 30.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.75 -21.06 2.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.93 151.32 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.3 -175.05 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.89 -33.73 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.02 -21.07 62.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.1 m-20 -87.13 -28.92 22.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 53' ' ' ILE . 88.3 mt -89.34 -36.66 15.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.5 mttt -46.99 -47.21 54.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -47.96 -48.4 16.39 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.58 -57.52 8.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.424 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . 29.8 m-85 -57.63 -27.18 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -79.19 -2.22 39.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.72 -19.61 44.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 95.4 m-85 -105.99 -49.73 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.43 164.78 31.18 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -68.9 112.11 5.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 43.0 mt -58.8 149.99 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 10.3 t80 -104.13 -34.54 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -175.2 121.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.48 130.64 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -139.97 112.25 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.489 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 5.1 p -89.17 126.52 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.0 141.88 45.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -139.68 144.15 37.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.2 t70 -41.44 161.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -108.23 -36.5 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.78 -40.46 61.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -102.2 -33.73 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.79 25.56 57.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.9 mt -97.47 172.59 7.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' HG21 ' A' ' 53' ' ' ILE . 17.7 t-80 -68.34 112.13 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 5.8 mtpm? -63.64 -54.03 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.11 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 10.9 p -174.28 163.39 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -161.17 145.18 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.503 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 22.6 m-85 -96.36 109.08 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.515 HD22 ' CE2' ' A' ' 94' ' ' TYR . 12.4 tp -99.51 138.48 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.6 m -123.52 123.37 40.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.515 ' CE2' HD22 ' A' ' 92' ' ' LEU . 15.2 m-85 -98.96 138.06 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.37 -42.01 94.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.08 140.94 40.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -61.13 -29.1 69.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -69.45 -56.86 6.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -43.83 -35.47 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -69.39 -50.43 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.83 -46.95 64.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 106' ' ' ALA . 81.2 mttt -61.76 -67.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.28 -38.09 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -64.74 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.469 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 23.0 t -74.73 -4.63 38.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.56 -26.32 14.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.01 -41.94 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 57.0 t60 -47.41 107.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 56.56 37.87 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 105' ' ' SER . 1.4 mp0 -129.66 -44.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -100.02 158.82 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.0 m -134.9 100.88 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.15 154.53 2.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.32 17.24 14.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.9 mmm -125.76 120.2 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -35.86 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 80.3 mtm-85 -98.93 155.89 36.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.86 3.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.421 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 13.6 tt -88.92 135.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -109.4 119.72 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.88 126.54 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 151.51 76.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -43.16 144.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . 51.31 54.89 10.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.6 t -169.33 145.3 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -89.73 122.67 33.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 175.1 73.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -108.86 162.39 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -137.63 112.93 0.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -89.49 42.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.2 p -162.66 175.17 11.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 150.18 -175.48 29.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -179.27 2.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 90.1 p -97.59 113.12 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.791 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 95.4 p -86.55 173.13 9.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.465 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -99.42 120.58 39.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 m -94.0 150.87 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.19 105.53 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -67.53 177.52 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 m -164.01 154.8 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.53 -91.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.3 143.52 31.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.655 0.74 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 109.64 2.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -116.95 129.38 56.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -111.08 -174.87 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -105.4 158.01 16.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -68.35 -35.61 78.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -108.76 37.77 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.47 -179.0 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.8 mt -138.96 154.54 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -105.47 122.26 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -95.24 134.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.0 t -103.62 132.31 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.4 34.36 3.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.438 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 27.2 mm100 -134.53 40.54 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.1 mt -106.33 113.76 62.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.59 3.02 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -95.32 117.31 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 -30.63 1.84 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.95 166.61 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.59 -176.17 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 77' ' ' VAL . 21.4 mp0 -57.38 -22.78 44.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.23 -14.64 60.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-20 -103.97 -20.84 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 74.3 mt -91.07 -33.32 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 6.4 ttmm -49.85 -45.96 80.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.93 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -48.01 -53.86 6.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.6 mt -65.09 -54.11 35.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 92' ' ' LEU . 22.5 m-85 -58.02 -25.85 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -83.16 -0.1 47.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -87.06 -13.68 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 86.0 m-85 -108.74 -55.64 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.0 175.8 28.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -80.98 112.6 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 73' ' ' TYR . 20.1 mt -59.45 142.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 6.4 t80 -99.94 -34.6 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -169.0 121.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 tp -120.4 134.88 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 77' ' ' VAL . 10.4 m -147.14 138.63 24.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 78' ' ' LEU . 79.2 t -102.34 134.86 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -85.77 135.02 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -139.11 141.47 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.37 164.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -6.29 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -102.34 -46.33 4.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.9 p -104.4 -31.95 9.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.95 25.43 60.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.35 128.3 42.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -38.36 101.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' CE ' ' HB3' ' A' ' 78' ' ' LEU . 27.1 mtmt -54.03 -50.68 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.69 42.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -165.29 163.16 20.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.16 146.56 15.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.466 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.7 m-85 -93.91 120.95 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 66' ' ' PHE . 21.9 tp -109.85 133.21 53.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -121.72 133.15 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -108.84 138.47 45.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -56.98 -43.48 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.39 158.6 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -68.31 -59.14 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -41.85 -59.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.4 m -41.51 -36.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.14 -52.73 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.36 -45.09 80.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 106' ' ' ALA . 29.4 mtpt -57.79 -68.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.536 ' HB3' ' CD2' ' A' ' 69' ' ' PHE . . . -52.85 -40.6 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.69 -55.65 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.3 t -76.54 -12.5 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.483 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . . . -96.66 -20.18 18.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' ALA . 86.4 mt -106.21 -43.15 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -49.59 101.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 67.24 37.27 3.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 12.5 mp0 -125.84 -44.77 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.25 158.94 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.7 m -135.06 99.29 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.0 mt -56.67 154.99 15.59 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.24 3.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.57 15.04 30.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.4 mmm -127.56 97.36 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -44.88 -33.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -100.06 155.4 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.71 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.438 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 9.0 tt -88.58 136.16 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -109.65 119.73 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.32 122.98 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -135.99 152.03 74.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.2 Cg_endo -69.7 81.43 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.92 -69.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.2 138.77 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.3 p -170.54 129.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.52 -57.13 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -69.47 -175.57 13.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 15.2 ttp-105 -171.44 146.59 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 175.84 -149.44 10.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -147.0 168.13 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.4 p -157.23 154.16 28.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -109.49 152.74 17.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 148.81 66.15 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 20.9 t -126.59 42.05 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.0 t -76.19 132.44 39.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -150.09 173.14 14.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.826 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -87.37 98.41 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.84 -170.02 43.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.1 p -162.56 126.02 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 m -98.69 148.91 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.93 169.35 26.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 m -47.66 143.64 5.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.14 6.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.7 mtt -98.64 142.88 29.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -130.67 -175.17 3.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -106.33 126.76 52.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -44.59 -31.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -111.88 39.02 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.77 172.46 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.07 152.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -107.32 105.45 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.7 mt -79.01 138.81 38.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -121.65 121.94 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.82 132.32 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.24 34.04 4.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 119' ' ' PRO . 9.3 tp-100 -133.18 43.14 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -108.89 112.33 60.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 177.28 5.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.324 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 139.79 30.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.3 -25.37 9.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -99.93 -178.02 3.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -160.59 -176.3 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' ' HG ' ' A' ' 75' ' ' LEU . 32.5 mp0 -51.45 -20.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 8.0 pt20 -72.08 -31.75 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 5.9 t70 -90.3 -19.46 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.557 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 17.0 mt -91.63 -35.14 14.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.4 mmtm -46.3 -47.63 45.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -47.99 -55.19 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 HD23 ' CE ' ' A' ' 111' ' ' LYS . 61.4 mt -62.29 -55.35 29.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CD1' HD23 ' A' ' 92' ' ' LEU . 21.2 m-85 -57.49 -27.69 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -83.76 -0.67 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -82.79 -23.14 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 96.9 m-85 -102.55 -42.36 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.58 172.25 44.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -67.38 150.06 49.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 73' ' ' TYR . 81.7 mt -100.25 158.81 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 3.4 t80 -107.15 -35.32 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -171.83 125.27 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 8.0 tp -119.54 121.28 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -139.44 126.37 20.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -93.22 152.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -99.06 136.22 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -133.47 144.35 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.86 172.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -110.77 -43.83 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.41 -40.41 89.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.2 p -103.5 -50.22 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 25.45 17.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.3 mt -99.36 143.31 29.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -46.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -45.52 -55.72 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.61 41.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.74 166.75 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.12 150.6 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -97.9 117.28 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 66' ' ' PHE . 18.5 tp -108.79 127.32 53.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.1 m -115.2 115.57 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.1 m-85 -87.24 139.44 30.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.74 -37.79 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.0 168.88 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -80.77 -48.35 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.02 -55.82 23.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -43.42 -39.77 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -70.58 -54.2 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.53 -47.24 49.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 35.7 mtpt -60.34 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . . . -49.36 -32.72 11.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -69.13 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -75.01 -2.5 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -100.09 -20.79 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 85.4 mt -113.47 -42.24 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -40.08 109.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 56.27 42.28 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' LEU . 1.9 mt-30 -133.8 -44.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.441 ' HG3' ' CD2' ' A' ' 107' ' ' LEU . 9.9 mmmt -100.04 172.89 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.1 m -155.96 113.05 3.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.99 157.44 61.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 108.59 2.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.36 11.68 17.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -124.02 123.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -69.22 -35.04 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -93.93 154.15 40.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.8 Cg_endo -69.77 178.0 5.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.454 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.4 tt -86.69 120.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -100.37 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.26 118.55 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -129.65 153.37 80.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.78 85.1 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.94 -53.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -104.83 92.6 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.7 m -92.26 93.04 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -121.57 97.63 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -165.92 -41.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -47.95 103.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -150.97 -103.39 0.26 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 53.63 42.3 31.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.2 p -65.56 131.26 45.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -174.5 155.58 21.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 134.16 27.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.1 m -83.5 177.64 8.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.1 m -95.24 160.04 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -161.57 174.87 12.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 t -173.29 151.81 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.82 -127.81 2.7 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 p -52.21 117.34 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -104.59 171.55 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.35 -147.88 5.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 p -60.84 131.64 91.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 168.47 21.53 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.8 mtt -146.6 126.92 13.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 13.9 pttp -112.89 160.45 18.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -83.53 157.29 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.28 1.07 55.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.84 157.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mt -131.77 145.63 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 18.4 tttt -102.49 105.58 16.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.17 148.38 32.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.2 136.3 50.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.45 135.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.75 31.37 3.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 39.1 mm-40 -133.07 40.09 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.2 mt -103.07 116.35 62.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -166.35 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.403 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -109.02 118.79 37.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.96 -21.76 3.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -106.17 170.41 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.04 -179.6 6.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' OE1' ' CG1' ' A' ' 77' ' ' VAL . 1.2 mm-40 -55.93 -26.13 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -69.16 -21.96 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -95.63 -18.85 20.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 60.2 mt -94.21 -27.23 16.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 ttmp? -55.74 -45.18 99.92 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.04 -49.11 14.63 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.15 -48.29 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.497 ' CG ' HD21 ' A' ' 92' ' ' LEU . 23.8 m-85 -62.73 -25.1 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -81.28 -3.24 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.48 -19.07 36.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -101.62 -40.14 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.17 174.0 46.39 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -66.97 130.47 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 73' ' ' TYR . 83.6 mt -78.22 155.65 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 17.5 t80 -109.86 -46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -148.71 140.24 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.429 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 7.6 tp -144.71 115.71 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 m -145.12 123.89 12.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.503 ' CG1' ' OE1' ' A' ' 59' ' ' GLU . 32.1 m -77.84 152.86 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.53 139.71 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -136.21 151.78 50.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.6 m-20 -46.0 172.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -110.41 -29.11 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.421 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 10.2 mt -77.27 -44.47 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.8 p -108.25 -35.21 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.47 19.88 55.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.7 mt -86.12 143.27 28.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -45.89 116.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 29.1 mtmt -75.09 -56.43 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.36 43.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.5 170.77 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -163.07 144.54 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 6.2 m-85 -92.91 116.6 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.497 HD21 ' CG ' ' A' ' 66' ' ' PHE . 19.9 tp -115.14 130.64 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.8 m -122.13 130.98 53.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.9 m-85 -96.87 144.68 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 p -61.95 -31.75 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.9 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.36 15.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -59.55 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.9 m -50.02 -32.68 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -72.75 -47.96 42.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.29 -52.01 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 25.4 mtpp -56.75 -68.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.08 -26.72 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.19 -63.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.4 t -76.77 -6.07 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -95.68 -22.31 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -110.26 -37.99 5.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -50.16 106.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 60.74 37.53 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -126.12 -44.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.06 158.85 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 52.3 m -132.94 102.98 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.1 mt -57.64 155.71 20.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 120.92 7.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.91 7.94 63.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mmm -118.39 98.44 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -45.65 -33.67 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -99.82 155.82 36.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -167.0 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.457 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.6 tt -99.49 139.82 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -112.67 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 23.9 t -133.14 125.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 156.38 72.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.7 Cg_endo -69.77 85.32 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -37.99 104.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -166.22 173.13 10.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.1 t -66.58 122.11 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -109.29 111.47 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -102.97 -114.34 3.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 9.5 ttp-105 -141.19 110.75 6.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -149.77 99.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -167.02 117.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -144.12 155.13 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.75 74.39 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -179.33 2.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.28 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.6 p -172.45 169.52 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 70.5 m -52.86 -55.85 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -95.78 114.38 26.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -161.52 165.22 28.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.93 -131.67 2.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.7 m -128.84 95.53 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -66.68 -46.16 76.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.4 -115.96 0.58 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.7 129.99 24.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 122.06 8.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -111.55 156.03 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 16.4 pttp -129.16 -175.18 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -102.17 156.95 17.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -64.72 -34.92 79.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.72 10.11 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.51 165.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 47' ' ' LYS . 40.9 mt -136.5 148.84 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' ILE . 25.1 tttt -106.97 102.93 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 mt -79.07 144.78 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -126.63 126.28 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.14 138.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.54 34.53 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 61.0 tp60 -134.59 42.35 2.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.6 mt -103.12 112.71 65.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 178.84 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -93.88 116.9 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.65 -29.59 2.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 mt -101.58 161.67 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.33 -175.12 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -55.1 -18.95 6.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.87 -24.12 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.41 -11.78 20.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 36.8 mt -96.53 -33.32 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.591 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -51.02 -45.54 88.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.556 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -47.95 -55.87 3.62 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.28 -55.11 35.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' HD22 ' A' ' 92' ' ' LEU . 25.3 m-85 -56.22 -29.94 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.36 -11.3 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -78.64 -17.3 56.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 93.4 m-85 -105.97 -49.8 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.74 171.69 38.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -73.56 120.84 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 73' ' ' TYR . 49.9 mt -67.01 143.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 9.6 t80 -99.98 -30.62 11.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -172.07 124.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.5 tp -124.63 128.91 49.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -142.57 138.57 30.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 78' ' ' LEU . 97.2 t -98.69 137.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 91' ' ' PHE . 22.8 mt -88.45 141.58 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -137.31 168.55 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.69 -177.44 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -120.15 -59.94 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.28 -39.76 91.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 p -101.3 -45.69 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.9 27.33 50.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.6 mt -96.34 133.75 40.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.473 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 11.4 t-80 -43.54 97.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -50.99 -45.29 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.473 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 118.75 35.13 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.9 m -149.75 163.65 37.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.67 147.04 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 78' ' ' LEU . 16.6 m-85 -96.59 114.4 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 66' ' ' PHE . 11.3 tp -106.04 137.16 44.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -129.85 125.49 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.5 m-85 -95.25 151.32 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.2 p -75.76 -30.35 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -112.84 145.0 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.74 -53.88 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.5 m -42.6 -36.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.536 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -73.9 -55.71 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.5 mt -49.83 -49.76 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 106' ' ' ALA . 59.3 mttt -57.51 -68.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.546 ' HB1' ' CD2' ' A' ' 69' ' ' PHE . . . -48.01 -35.99 11.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -63.22 -57.64 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.1 t -80.39 -5.99 57.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.472 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . . . -98.72 -20.67 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -111.96 -45.02 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.552 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 78.2 t60 -47.21 108.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.461 ' CG ' ' OE1' ' A' ' 121' ' ' GLN . 14.2 mt-10 59.37 38.14 23.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -130.22 -44.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -100.4 156.44 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 56.8 m -133.09 99.24 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.8 mt -55.59 155.97 9.65 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.25 -1.99 56.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -111.97 118.08 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -64.81 -33.1 75.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.444 ' HG2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -100.14 156.39 35.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 176.09 7.25 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -86.72 130.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.552 ' OE1' ' CE1' ' A' ' 108' ' ' HIS . 12.5 mm100 -103.28 119.58 39.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.1 t -130.14 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.04 155.47 70.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 87.75 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.384 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.89 133.23 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . 60.31 54.98 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 t -151.1 107.62 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -85.5 164.79 17.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 66.04 -179.3 11.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -98.96 153.31 18.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -76.8 63.72 3.09 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -86.65 91.59 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.8 t -110.75 115.2 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -89.17 147.59 19.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 135.85 31.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -166.03 132.32 2.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.2 p -73.55 173.76 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.9 m -59.32 -52.43 65.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -112.4 127.96 56.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.08 -142.67 8.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.8 m -123.16 136.29 54.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.818 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.9 p -152.59 129.66 11.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.08 -76.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.29 135.38 21.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.41 57.16 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.661 2.241 . . . . 0.0 112.389 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -105.06 149.89 25.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -126.94 -174.93 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 45' ' ' ALA . 10.5 m-20 -115.38 126.7 54.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -41.51 -35.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -107.16 41.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 42' ' ' ASP . . . -71.36 178.12 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.14 152.62 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ALA . 6.7 ttpm? -110.57 117.36 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.65 141.93 28.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 2.8 t80 -123.84 126.82 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.1 t -103.59 133.65 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.68 32.39 3.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 119' ' ' PRO . 6.3 tp-100 -133.4 41.06 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.727 0.299 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 90' ' ' ALA . 49.8 mt -105.74 114.76 62.57 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -167.68 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -106.72 118.77 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.71 -24.99 3.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.38 169.93 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.06 -175.1 4.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' CD ' ' CG2' ' A' ' 77' ' ' VAL . 1.3 mm-40 -56.79 -25.17 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.04 -20.4 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -97.81 -18.25 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.563 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 96.4 mt -92.04 -34.47 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -48.26 -46.75 67.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.8 Cg_exo -48.0 -43.99 28.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.8 mt -74.67 -54.48 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 20.3 m-85 -58.43 -24.05 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -82.95 -5.65 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.55 -20.86 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 103' ' ' ALA . 89.2 m-85 -101.14 -46.89 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.94 -173.45 34.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -86.27 125.94 33.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.467 HD12 ' CD ' ' A' ' 63' ' ' LYS . 58.6 mt -72.41 143.66 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 5.0 t80 -100.62 -33.81 10.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -160.34 115.93 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 7.3 tp -121.39 114.72 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 77' ' ' VAL . 3.4 m -137.1 154.53 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.463 ' CG2' ' CD ' ' A' ' 59' ' ' GLU . 47.3 t -114.15 137.03 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.541 HD12 ' CE2' ' A' ' 91' ' ' PHE . 18.2 mt -86.3 131.05 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -129.53 160.79 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.74 -177.39 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -39.4 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.71 -41.83 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.7 p -101.16 -8.09 22.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 42.18 29.88 0.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.7 mt -97.54 172.39 7.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.438 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 12.5 t-80 -74.46 107.96 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -57.87 -50.37 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.438 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 128.51 42.43 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -171.8 151.27 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' ILE . . . -137.65 153.95 49.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.541 ' CE2' HD12 ' A' ' 78' ' ' LEU . 3.7 m-85 -103.57 110.44 22.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.502 HD23 ' CG ' ' A' ' 66' ' ' PHE . 23.3 tp -108.59 138.26 45.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -130.87 120.02 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.3 m-85 -86.85 142.59 27.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -62.91 -39.34 94.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.54 -179.46 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -93.25 -41.1 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.479 ' N ' ' HD2' ' A' ' 97' ' ' ARG . 10.8 t0 -69.31 -47.0 65.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 68.7 m -41.06 -43.66 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -65.71 -55.19 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.49 -45.26 56.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -60.14 -69.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 69' ' ' PHE . . . -54.63 -20.03 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -77.92 -53.59 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 33.7 t -80.35 -9.54 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.508 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -95.84 -17.79 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.3 mt -113.17 -44.29 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.489 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 64.6 t60 -48.61 102.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 64.61 36.81 8.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 105' ' ' SER . 2.2 mp0 -128.85 -43.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -98.81 157.39 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.2 m -134.97 96.22 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.5 mt -52.35 154.79 4.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.61 4.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.98 -1.68 41.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.1 mmt -112.86 118.02 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -63.06 -34.08 76.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -99.06 156.69 35.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.489 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 54.2 Cg_endo -69.72 178.03 4.96 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.449 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.3 tt -86.99 132.98 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -105.51 119.98 40.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 26.0 t -131.47 113.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -124.92 154.9 71.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.75 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -34.07 -54.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.89 136.93 36.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.5 p -134.19 140.73 46.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -81.32 143.92 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -62.34 151.79 45.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -88.64 176.58 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -145.7 -46.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -76.05 103.44 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.0 p -120.41 100.16 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -151.32 83.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -1.32 8.26 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.5 m 62.23 46.0 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 93.8 p -108.47 127.16 53.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -167.69 133.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.877 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -125.83 95.89 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.04 95.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.7 m -94.78 122.5 37.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -109.05 -52.15 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.87 -179.7 51.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.0 143.35 65.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 119.87 6.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.3 mtt -100.98 137.18 39.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 11.8 ptmt -123.52 -177.13 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.2 p-10 -111.19 135.93 50.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -56.0 -35.71 67.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -87.31 12.33 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.39 170.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.23 123.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 17.2 tttt -81.25 104.04 11.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.59 125.5 30.08 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -108.36 120.22 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 t -102.37 135.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.95 33.38 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 88.1 mm-40 -134.26 42.12 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.78 114.07 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 162.77 40.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -82.02 115.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.92 -29.78 1.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.6 mt -100.28 163.07 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.01 -175.27 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.32 -22.52 19.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.2 -24.73 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 4.6 t70 -100.34 -15.76 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 96.6 mt -90.74 -38.54 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 9.1 ttmt -49.33 -46.18 77.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.592 0.711 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -44.84 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.464 HD22 ' CE ' ' A' ' 111' ' ' LYS . 72.5 mt -70.29 -55.19 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CD1' HD22 ' A' ' 92' ' ' LEU . 24.5 m-85 -57.78 -25.47 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -81.82 0.03 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -83.43 -28.26 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 93.9 m-85 -99.69 -46.02 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 177.22 40.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.81 147.39 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 73' ' ' TYR . 23.1 mt -95.48 143.43 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 16.9 t80 -100.03 -29.79 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -169.31 135.3 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.15 126.71 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 m -139.29 132.66 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.5 t -99.62 127.2 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.4 mt -76.37 137.69 39.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -137.81 153.79 49.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.57 -179.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -120.73 -47.2 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.9 mt -68.43 -44.42 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.8 p -102.46 -25.77 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.49 24.64 71.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.02 146.92 23.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.483 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 7.0 t-80 -57.05 99.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -52.66 -48.8 66.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.483 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 123.16 39.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 1.9 m -156.27 160.43 39.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.7 148.34 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.485 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 33.8 m-85 -98.4 122.32 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 66' ' ' PHE . 25.5 tp -108.93 138.42 45.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.3 m -127.86 110.63 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.441 ' CE2' HD23 ' A' ' 92' ' ' LEU . 9.5 m-85 -85.29 142.22 29.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.1 p -67.34 -26.51 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.88 150.73 39.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.62 -62.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 99' ' ' SER . 3.3 m-20 -45.88 -58.91 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' ASP . 46.3 m -35.26 -45.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.404 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -66.81 -53.85 28.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.83 -52.47 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -53.37 -69.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . . . -48.62 -38.79 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.55 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 13.0 t -76.14 -1.58 26.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.483 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . . . -100.18 -19.22 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 mt -116.35 -36.41 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.97 118.72 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 40.53 34.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.483 ' NE2' ' HA ' ' A' ' 106' ' ' ALA . 5.2 mt-30 -129.11 -40.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' CE ' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -100.5 154.74 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.3 m -128.68 109.81 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 65' ' ' LEU . 36.7 mt -59.86 155.85 39.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.72 2.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.48 16.88 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 34.9 mmm -124.12 115.69 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -61.11 -34.13 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -99.99 153.85 37.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 176.76 6.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.6 tt -91.39 135.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -111.33 119.79 40.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.2 t -129.69 115.57 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -121.41 148.19 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.701 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 87.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.98 106.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -170.3 155.71 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.8 t -46.41 142.63 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.6 172.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 65.82 98.52 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 131' ' ' GLY . 0.0 OUTLIER -112.29 85.57 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 130' ' ' ARG . . . -37.45 118.47 0.58 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -93.64 114.13 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 t -129.01 115.83 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -117.78 -78.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.42 3.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.3 t -111.35 158.03 19.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.1 m -154.91 139.26 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.8 t -148.03 132.49 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -48.78 137.7 12.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.9 55.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 t -39.36 145.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.368 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.1 m -139.34 154.17 47.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.3 -139.54 4.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.7 m -39.69 144.38 0.5 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 143.6 51.59 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.1 mtp -122.74 138.5 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -117.48 -174.8 2.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.83 146.79 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -55.2 -40.66 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -106.2 39.47 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.35 178.26 2.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 47' ' ' LYS . 45.4 mt -137.89 148.12 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.562 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 6.4 ttmt -107.36 114.49 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 96.0 mt -89.88 120.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 31.3 t80 -102.27 131.65 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 t -106.09 137.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.05 28.22 4.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 121' ' ' GLN . 5.4 mm-40 -133.31 41.84 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.9 mt -99.96 115.82 65.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -171.29 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -103.18 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.99 -29.14 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.39 156.67 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.09 -175.02 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CG ' HG22 ' A' ' 77' ' ' VAL . 16.3 mt-10 -57.31 -20.74 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.8 -16.0 54.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.3 m-20 -103.27 -20.16 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 32.1 mt -89.72 -35.25 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 12.8 tttp -48.22 -46.69 67.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.8 Cg_exo -47.99 -47.68 18.44 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 HD13 ' CE ' ' A' ' 111' ' ' LYS . 19.2 mt -65.8 -59.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -56.46 -25.55 51.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 0.07 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -87.0 -20.52 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 103' ' ' ALA . 83.2 m-85 -102.32 -50.49 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.19 169.32 36.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -71.91 126.88 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 22.1 mt -71.6 161.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 23.2 t80 -114.95 -41.42 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -163.35 117.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.5 tp -115.34 136.29 53.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 m -149.76 137.24 19.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.451 HG22 ' CG ' ' A' ' 59' ' ' GLU . 97.1 t -100.53 138.77 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.7 mt -92.57 141.67 28.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -138.26 160.01 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.24 179.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -115.34 -54.91 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.7 mt -62.23 -40.57 96.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.6 p -103.9 -43.08 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.55 28.64 38.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 86' ' ' HIS . 25.8 mt -99.21 133.6 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.51 ' HD1' ' N ' ' A' ' 88' ' ' GLY . 26.0 t-80 -35.75 109.38 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -65.54 -38.65 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.51 ' N ' ' HD1' ' A' ' 86' ' ' HIS . . . 120.28 37.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 1.8 p -157.39 163.08 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.25 145.97 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.4 m-85 -96.62 113.64 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.9 tp -106.24 127.71 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 m -115.12 127.9 55.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -101.16 151.07 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 79.6 m -65.14 -47.31 77.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 11.0 ptt180 -73.65 -40.08 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 0.9 OUTLIER -59.59 -57.36 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -40.82 -39.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.36 53.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -53.24 -44.46 68.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.27 -70.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 69' ' ' PHE . . . -48.42 -42.23 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.54 -57.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -76.81 -9.84 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.525 ' HB1' ' CE2' ' A' ' 69' ' ' PHE . . . -100.03 -15.07 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 103' ' ' ALA . 60.7 mt -111.29 -43.75 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.433 ' N ' ' OE1' ' A' ' 110' ' ' GLN . 59.2 t60 -50.9 98.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 69.72 33.98 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.46 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 14.8 mp0 -125.02 -44.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 112' ' ' THR . 0.0 OUTLIER -100.3 156.21 17.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 60.6 m -134.2 100.27 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.7 mt -54.41 154.26 8.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 113.17 3.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.39 13.82 34.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mmm -123.25 97.12 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -43.63 -35.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 153.28 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.9 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.298 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.6 tt -87.96 145.68 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 52.7 mt-30 -119.49 119.35 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 48' ' ' LEU . 22.3 t -128.42 134.32 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -144.58 151.13 49.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 85.41 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -42.22 144.51 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -169.51 130.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 t -89.55 -53.16 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -94.63 -30.24 14.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 61.93 -132.56 46.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.47 87.47 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.829 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -126.88 137.98 10.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.28 152.78 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.5 m -74.04 -56.12 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 174.0 -70.71 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 142.02 46.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 45.0 t -60.08 90.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.6 m -148.47 159.41 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.3 m -132.86 107.77 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 t -72.78 -60.55 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.93 145.56 6.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -87.61 106.19 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -94.29 146.34 24.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.61 -143.88 14.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.12 129.53 8.91 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.53 60.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.9 mtm -123.43 127.74 48.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.3 ptmt -105.46 167.5 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 45' ' ' ALA . 5.8 p-10 -92.75 152.52 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -61.18 -32.88 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -93.0 4.94 53.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' OD2' ' A' ' 42' ' ' ASP . . . -43.97 162.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mt -133.84 148.98 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.509 ' HE3' ' CD1' ' A' ' 91' ' ' PHE . 17.6 tttt -105.18 103.28 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -80.3 138.38 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 53.8 t80 -119.03 137.5 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.7 t -113.31 133.29 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -125.3 29.03 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 1.3 mp0 -130.97 43.87 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.497 HG22 ' CE1' ' A' ' 86' ' ' HIS . 29.9 mt -106.55 114.15 62.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.733 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.67 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.19 121.49 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.49 -27.81 3.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -100.55 157.7 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.13 -175.27 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -56.41 -19.04 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.57 -20.56 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 26.3 t70 -103.03 -14.68 16.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 79.5 mt -93.24 -30.94 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.595 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.5 ttmt -55.39 -45.19 99.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -48.0 -54.8 4.7 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.307 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.89 -50.55 70.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 22.1 m-85 -61.43 -26.13 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -83.25 -2.68 56.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.31 -22.06 30.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -102.47 -39.4 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.47 173.81 45.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -74.76 128.03 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.317 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 94.8 mt -74.6 152.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 10.3 t80 -106.41 -42.88 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -158.83 118.28 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 tp -118.96 126.51 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -142.65 130.16 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.01 135.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -82.57 140.55 33.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -139.64 154.14 47.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.65 175.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -109.51 -41.48 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.45 -40.36 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -100.69 -28.34 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.45 17.88 62.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.3 mt -87.74 172.33 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' CE1' HG22 ' A' ' 53' ' ' ILE . 9.2 t-80 -70.32 104.39 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -59.01 -47.85 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.61 42.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.2 p -170.22 162.54 8.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.33 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.28 144.35 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.7 m-85 -94.0 116.52 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.484 HD23 ' CE1' ' A' ' 66' ' ' PHE . 13.0 tp -108.09 131.17 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.6 m -121.88 125.9 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 11.7 m-85 -94.16 162.7 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.9 p -80.44 -31.72 37.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.96 164.6 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -76.34 -29.05 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 6.3 t0 -71.33 -55.91 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -42.8 -38.16 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.454 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -71.51 -56.93 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.8 mt -47.21 -50.59 20.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 106' ' ' ALA . 23.0 mtpt -59.21 -68.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.64 -30.46 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.03 -61.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -76.31 -2.71 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.02 -24.89 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.6 mt -109.5 -39.52 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -49.0 104.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 59.96 36.69 21.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -127.33 -43.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -99.57 158.5 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.5 m -134.9 103.62 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.57 155.54 28.5 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.23 . . . . 0.0 112.368 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.41 3.63 58.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -116.13 107.92 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -56.76 -32.09 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 152.66 38.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.463 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -91.56 129.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -105.92 119.72 39.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.467 ' CA ' ' HE2' ' A' ' 123' ' ' LYS . 41.5 t -131.08 120.83 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -132.62 154.96 81.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.72 84.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.67 -60.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.75 124.45 24.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.1 t -123.03 135.51 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -109.93 -61.85 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -151.89 150.8 22.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -95.15 156.32 16.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.84 -133.04 4.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -144.41 130.81 19.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 134' ' ' GLY . 13.4 t -77.95 144.22 36.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 133' ' ' SER . . . 37.44 72.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.539 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -40.33 5.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 m -118.03 105.94 12.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 21.5 t -76.99 89.34 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -62.38 -30.53 71.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.55 31.38 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.93 177.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.568 HD11 ' HD2' ' A' ' 97' ' ' ARG . 32.2 mt -143.03 130.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HE2' ' CG ' ' A' ' 91' ' ' PHE . 36.9 tttt -92.3 103.58 16.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD22 HG12 ' A' ' 122' ' ' VAL . 51.9 mt -79.38 148.61 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -125.8 130.49 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 122' ' ' VAL . 88.9 t -107.75 133.91 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.04 32.62 4.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.531 ' H ' HG12 ' A' ' 50' ' ' VAL . 32.7 tp60 -134.05 40.07 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 89' ' ' CYS . 37.4 mt -100.11 113.7 65.38 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -167.53 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 131.12 54.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.47 -16.18 9.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -103.21 177.25 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -153.35 -179.71 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.58 ' CG ' HG23 ' A' ' 77' ' ' VAL . 42.4 mt-10 -56.1 -21.85 24.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.26 -20.08 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.98 -13.29 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 68.0 mt -98.03 -28.9 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.0 mttp -56.22 -45.51 99.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.98 -50.08 12.57 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.94 -50.99 44.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.811 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.8 m-85 -60.91 -24.36 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -80.84 -2.49 47.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -82.58 -13.63 56.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 91.1 m-85 -108.13 -32.1 7.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.83 -171.46 44.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.13 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.811 HD11 ' HB2' ' A' ' 66' ' ' PHE . 71.3 mt -80.04 152.75 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.411 ' N ' HG22 ' A' ' 72' ' ' ILE . 45.9 t80 -105.64 -37.71 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -161.7 138.09 8.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.56 110.35 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -122.46 136.37 54.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.58 HG23 ' CG ' ' A' ' 59' ' ' GLU . 98.9 t -97.65 134.83 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 mt -86.33 123.46 31.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -130.78 144.99 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 6.1 m-20 -52.57 179.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.1 tmt_? -118.92 -62.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.9 -41.71 58.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.7 p -105.19 -40.06 5.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.28 15.09 72.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.9 mt -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -38.92 110.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CD ' ' OD1' ' A' ' 80' ' ' ASP . 2.7 mtmp? -60.37 -43.01 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.41 36.7 0.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.47 ' C ' HD12 ' A' ' 53' ' ' ILE . 2.9 p -161.91 161.82 28.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.38 156.79 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CG ' ' HE2' ' A' ' 47' ' ' LYS . 37.3 m-85 -103.65 123.17 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 66' ' ' PHE . 9.5 tp -113.37 131.54 55.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.8 m -121.08 140.02 52.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.456 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 9.5 m-85 -110.15 141.25 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.4 -27.71 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.81 157.25 26.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.568 ' HD2' HD11 ' A' ' 46' ' ' ILE . 5.0 tpp85 -67.19 -59.29 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.68 ' HA ' HD12 ' A' ' 101' ' ' LEU . 53.4 m-20 -46.46 -54.36 9.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 74.7 m -35.72 -46.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.02 62.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 98' ' ' ASP . 29.9 mt -50.27 -51.64 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ALA . 27.1 mtpp -62.44 -68.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.02 -31.87 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.63 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 t -75.63 -2.57 29.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.521 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.91 -23.67 14.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.28 -39.22 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -48.63 107.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 58.46 40.54 23.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -129.03 -45.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.02 159.95 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.8 m -134.25 94.2 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 52' ' ' GLN . 66.3 mt -51.81 155.13 3.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.93 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.32 2.49 47.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.4 mmt -116.82 105.52 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -51.84 -35.11 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -100.05 160.05 28.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 177.18 5.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -87.13 131.78 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -102.7 120.25 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 50' ' ' VAL . 25.6 t -131.6 120.53 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -130.53 155.4 81.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 84.39 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -55.92 -31.65 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -111.64 39.28 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.37 179.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.6 mt -139.74 131.64 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -94.13 109.78 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.432 HD22 HG12 ' A' ' 122' ' ' VAL . 72.7 mt -82.65 140.35 33.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -119.42 126.04 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 52' ' ' GLN . 24.5 t -106.65 136.0 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.01 30.95 4.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.52 ' H ' HG12 ' A' ' 50' ' ' VAL . 8.1 tp-100 -133.29 40.7 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.504 HD12 ' C ' ' A' ' 89' ' ' CYS . 32.2 mt -102.78 112.45 65.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.99 6.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.348 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -94.92 118.01 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.81 -26.69 2.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.796 HD13 ' OD2' ' A' ' 61' ' ' ASP . 77.0 mt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.76 -175.24 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HG3' HG23 ' A' ' 77' ' ' VAL . 2.0 mp0 -57.14 -21.79 35.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.94 -20.0 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.796 ' OD2' HD13 ' A' ' 57' ' ' LEU . 26.5 t70 -100.15 -26.3 13.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 26.3 mt -91.95 -26.71 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.769 ' HG2' HD23 ' A' ' 75' ' ' LEU . 7.5 mmtp -55.17 -45.77 99.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.926 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.6 Cg_exo -47.95 -55.24 4.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.56 HD22 ' NZ ' ' A' ' 111' ' ' LYS . 83.1 mt -60.61 -51.51 69.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.0 m-85 -58.33 -25.16 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HG3' HD12 ' A' ' 72' ' ' ILE . 11.5 mt-10 -86.03 -3.39 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.41 -22.16 41.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 98.2 m-85 -100.55 -35.25 9.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.53 167.86 39.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -64.69 131.65 47.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 66' ' ' PHE . 23.0 mt -85.98 150.73 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -100.04 -37.3 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -170.48 137.45 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.769 HD23 ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp -130.26 119.17 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.2 m -133.66 123.07 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.781 HG11 ' NE2' ' A' ' 86' ' ' HIS . 91.2 t -86.98 133.02 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.026 HD11 ' CE2' ' A' ' 91' ' ' PHE . 23.9 mt -79.33 140.38 37.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -136.11 167.89 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -176.99 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -119.24 -49.83 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.4 -42.2 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.2 p -105.02 -14.24 15.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 54.01 24.73 28.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.26 168.27 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.781 ' NE2' HG11 ' A' ' 77' ' ' VAL . 20.5 t-80 -70.33 109.06 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -60.91 -51.2 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.05 42.57 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.504 ' C ' HD12 ' A' ' 53' ' ' ILE . 7.8 p -170.41 164.38 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -153.98 155.28 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 1.026 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.2 m-85 -105.59 111.77 24.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.631 HD22 ' CD1' ' A' ' 66' ' ' PHE . 14.7 tp -99.97 133.66 44.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 m -121.68 127.23 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.482 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 15.0 m-85 -102.27 147.43 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 p -62.21 -34.67 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.62 -177.67 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -32.44 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.5 ' HA ' HD12 ' A' ' 101' ' ' LEU . 21.0 m-20 -66.68 -49.93 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m -48.88 -42.91 38.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -64.59 -56.63 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 98' ' ' ASP . 27.0 mt -44.19 -49.5 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -59.69 -69.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.66 -29.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.17 -54.03 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 t -79.75 -7.08 58.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.4 -20.19 16.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' A' ' 111' ' ' LYS . 86.1 mt -109.09 -48.97 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -42.25 108.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 54.8 41.1 32.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -131.49 -44.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.56 ' NZ ' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -100.07 174.44 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.2 m -152.4 108.88 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.83 157.8 78.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.85 4.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.09 26.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.9 mmt -106.4 117.15 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -91.34 158.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.8 tt -88.53 127.09 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.67 121.5 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 50' ' ' VAL . 17.3 t -132.48 124.48 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -136.05 152.37 75.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -55.85 -40.36 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -107.77 35.96 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.7 172.89 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.2 mt -135.64 148.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -105.21 105.74 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -79.96 137.59 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 89' ' ' CYS . 11.6 t80 -118.54 126.69 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.894 HG22 HG22 ' A' ' 122' ' ' VAL . 60.6 t -105.61 133.22 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.74 32.36 4.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' H ' HG12 ' A' ' 50' ' ' VAL . 35.6 tp60 -133.54 40.84 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 mt -106.3 113.5 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -165.6 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -104.06 136.66 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.85 -24.32 9.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 mt -101.66 156.9 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -134.25 -177.55 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB3' HD23 ' A' ' 75' ' ' LEU . 36.9 mp0 -53.06 -28.43 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.72 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.49 -15.17 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.97 -27.32 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 22.5 ttmt -54.92 -45.21 99.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.92 -55.17 4.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.63 -50.69 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' A' ' 92' ' ' LEU . 23.5 m-85 -62.3 -24.51 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -83.25 -0.06 47.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.22 -17.44 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 87.9 m-85 -103.93 -41.71 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.19 -174.94 39.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -81.12 130.69 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 73' ' ' TYR . 21.6 mt -77.4 160.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.542 ' N ' HG22 ' A' ' 72' ' ' ILE . 24.5 t80 -115.71 -37.97 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -163.99 117.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' A' ' 59' ' ' GLU . 20.1 tp -116.75 119.14 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -134.68 136.4 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.3 t -97.09 137.16 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.61 HD11 ' CE2' ' A' ' 91' ' ' PHE . 26.9 mt -89.83 130.94 36.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -138.27 155.47 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -53.43 177.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.538 ' CG ' HD12 ' A' ' 82' ' ' LEU . 19.1 ptt-85 -116.09 -43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.538 HD12 ' CG ' ' A' ' 81' ' ' ARG . 5.3 mp -68.63 -43.72 75.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.1 p -102.13 -45.13 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.8 27.59 34.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.49 135.61 38.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.19 100.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -58.99 -44.15 91.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 125.7 42.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 1.6 p -166.75 159.3 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.32 147.04 24.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.0 m-85 -97.3 110.91 23.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 66' ' ' PHE . 14.7 tp -100.08 134.56 42.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 m -123.95 125.29 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.48 ' CE2' HD21 ' A' ' 92' ' ' LEU . 14.0 m-85 -99.06 154.99 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.3 -46.82 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.08 175.55 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -84.67 -42.77 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.825 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.8 t0 -57.43 -57.75 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' ASP . 12.9 m -37.66 -45.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.35 86.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.1 mt -57.27 -48.39 79.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -58.76 -67.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . . . -51.89 -39.03 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -57.77 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -77.28 -7.42 55.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -96.94 -17.83 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 mt -113.53 -39.34 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -50.54 107.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 59.06 38.94 23.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -128.89 -44.51 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -100.02 154.52 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 112' ' ' THR . 22.1 m -134.82 91.76 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 39.9 mt -46.79 155.43 0.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 112.02 2.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.18 0.85 33.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -115.85 105.52 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.23 -32.22 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -100.0 154.36 37.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.56 5.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -87.69 127.34 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.79 119.74 39.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.894 HG22 HG22 ' A' ' 50' ' ' VAL . 43.9 t -130.07 120.98 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -131.19 153.2 81.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.76 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.732 2.288 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -71.46 -34.8 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.91 36.62 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.82 178.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.18 149.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 20.5 tttt -109.72 107.11 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.752 HD22 HG12 ' A' ' 122' ' ' VAL . 31.2 mt -78.78 143.52 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -124.56 120.4 31.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.873 HG22 HG22 ' A' ' 122' ' ' VAL . 48.8 t -101.74 133.33 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -124.98 28.54 5.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 113' ' ' LEU . 1.3 mp0 -130.64 43.82 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mt -105.18 112.33 65.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD2' HD13 ' A' ' 113' ' ' LEU . 54.1 Cg_endo -69.79 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.635 2.224 . . . . 0.0 112.356 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -105.23 117.11 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.67 2.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 mt -100.76 158.42 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.76 -179.35 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 77' ' ' VAL . 20.4 mt-10 -54.13 -20.03 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -78.03 -25.61 47.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 -9.61 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 70.7 mt -96.09 -31.0 13.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 26.2 mtpt -52.46 -45.71 95.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -54.45 5.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.65 -54.53 38.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.883 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.5 m-85 -60.07 -23.38 63.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.24 -0.88 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -85.99 -15.68 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.461 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 81.2 m-85 -110.16 -57.55 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -145.54 -179.34 21.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -81.73 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.883 HD11 ' HB2' ' A' ' 66' ' ' PHE . 95.4 mt -82.0 137.53 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.6 t80 -100.03 -34.29 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -165.07 127.76 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tp -128.98 119.86 25.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -136.9 139.29 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 90' ' ' ALA . 18.5 t -100.6 149.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.5 mt -98.32 129.31 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -120.48 179.15 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -179.25 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -108.49 -25.59 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.23 -42.68 8.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -107.81 -19.8 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.424 ' C ' ' HB3' ' A' ' 79' ' ' LYS . . . 55.67 33.54 59.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.425 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 86' ' ' HIS . 47.6 mt -94.93 135.03 36.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.484 ' CD2' HG11 ' A' ' 77' ' ' VAL . 14.7 t-80 -34.85 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.64 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.84 43.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.7 163.52 12.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -158.62 147.78 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CE2' HD11 ' A' ' 78' ' ' LEU . 18.9 m-85 -98.12 115.96 29.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.556 HD22 ' CD1' ' A' ' 66' ' ' PHE . 20.2 tp -102.98 133.36 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -122.89 118.21 27.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -93.89 149.57 21.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 81.5 m -63.87 -40.81 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.11 177.85 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -89.54 -41.33 12.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.63 ' HA ' HD12 ' A' ' 101' ' ' LEU . 5.9 t0 -61.67 -53.38 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.9 m -40.65 -35.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.07 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 98' ' ' ASP . 16.8 mt -45.75 -46.42 15.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -63.55 -69.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.33 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -71.1 -52.61 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.9 t -79.72 -6.29 56.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.461 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -98.14 -25.63 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.69 -46.15 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -45.69 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.81 39.47 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -130.78 -44.31 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -97.0 157.03 16.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.0 m -134.75 94.62 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 52' ' ' GLN . 41.5 mt -55.58 156.87 8.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.36 9.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 98.85 -6.59 60.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -109.48 107.42 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -53.3 -34.24 56.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -98.59 161.22 25.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -102.86 133.1 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.78 119.65 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.873 HG22 HG22 ' A' ' 50' ' ' VAL . 28.5 t -131.5 116.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.409 ' NZ ' ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -128.78 153.88 79.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.71 88.15 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.457 ' CD2' ' H ' ' A' ' 43' ' ' HIS . 7.9 p80 -64.61 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.75 37.61 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.95 179.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.7 mt -139.72 136.47 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -99.93 108.0 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 104' ' ' GLN . 76.8 mt -77.83 139.39 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -117.79 121.62 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.056 HG22 HG22 ' A' ' 122' ' ' VAL . 60.8 t -102.34 136.93 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.02 33.4 2.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 77.1 mm-40 -133.52 41.65 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 mt -110.15 115.0 55.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -173.37 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -99.99 117.33 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.11 -31.51 1.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' ' 61' ' ' ASP . 35.8 mt -100.61 173.92 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -146.69 -175.05 4.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.65 -20.82 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -74.86 -12.96 60.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' ' 57' ' ' LEU . 13.6 t0 -110.17 -15.96 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 65.2 mt -92.53 -35.35 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 mtpm? -50.43 -45.83 84.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.0 Cg_exo -47.94 -55.5 3.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.626 2.218 . . . . 0.0 112.376 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.94 -50.97 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.725 ' HB2' HD11 ' A' ' 72' ' ' ILE . 26.5 m-85 -61.57 -24.64 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.37 -2.74 50.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.65 -23.26 42.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 90.9 m-85 -100.17 -44.03 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.39 161.61 33.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -54.89 141.12 34.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 66' ' ' PHE . 44.9 mt -91.7 153.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' N ' HG22 ' A' ' 72' ' ' ILE . 28.9 t80 -101.35 -37.45 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -173.86 136.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 tp -131.38 125.65 33.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -135.36 139.04 43.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 90' ' ' ALA . 86.6 t -102.06 127.12 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.508 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -75.45 131.63 40.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -134.1 161.98 33.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.88 178.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -115.39 -38.65 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.8 -34.24 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.2 p -107.8 -36.14 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.18 27.55 68.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.2 mt -97.31 172.81 7.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.31 109.75 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -62.91 -50.36 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.81 42.42 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 5.9 p -173.05 162.46 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -152.84 143.93 23.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.1 m-85 -92.79 111.81 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.74 HD21 ' CE2' ' A' ' 94' ' ' TYR . 17.5 tp -101.71 136.39 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -127.74 115.21 18.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.74 ' CE2' HD21 ' A' ' 92' ' ' LEU . 14.8 m-85 -87.94 152.25 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -67.3 -41.88 84.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.74 162.39 16.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -70.3 -47.15 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 101' ' ' LEU . 2.0 m-20 -51.39 -60.16 3.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.1 m -42.48 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.55 -52.12 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 98' ' ' ASP . 16.9 mt -52.3 -49.16 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 106' ' ' ALA . 37.0 mtpt -60.04 -67.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.79 -40.58 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.405 ' HB2' HD21 ' A' ' 48' ' ' LEU . 8.4 tt0 -61.09 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -73.93 -3.54 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -97.01 -29.08 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.7 mt -104.24 -40.27 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -46.94 111.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 54.66 40.99 32.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.418 ' CD ' ' O ' ' A' ' 106' ' ' ALA . 3.5 tt0 -130.34 -44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -98.18 174.85 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.5 m -155.81 106.46 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.58 155.31 50.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 105.52 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 110.52 18.97 8.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 14.7 mmm -128.31 113.97 16.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -59.11 -36.09 74.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -99.25 153.14 37.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.73 2.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.462 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.8 tt -88.02 131.57 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -108.74 119.74 40.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 1.056 HG22 HG22 ' A' ' 50' ' ' VAL . 40.9 t -132.05 118.68 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -127.6 150.16 72.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.77 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 1.3 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 44' ' ' ASP . 17.0 p80 -49.47 -35.81 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 8.6 p-10 -111.15 31.45 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 42' ' ' ASP . . . -67.55 177.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 47' ' ' LYS . 33.7 mt -134.45 161.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.535 ' N ' HG22 ' A' ' 46' ' ' ILE . 25.7 tttt -115.38 108.46 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.16 140.09 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -124.73 126.21 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 122' ' ' VAL . 15.6 t -103.31 139.13 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.85 29.91 3.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.504 ' H ' HG12 ' A' ' 50' ' ' VAL . 15.7 tp60 -132.78 40.41 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 90' ' ' ALA . 34.6 mt -102.02 113.72 65.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 ptt-85 -108.37 136.63 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.71 14.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.573 HD22 ' OD2' ' A' ' 61' ' ' ASP . 79.5 mt -100.97 169.18 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.937 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -143.76 179.31 7.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.666 ' HG3' HG23 ' A' ' 77' ' ' VAL . 26.5 mt-10 -56.73 -20.7 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -76.56 -22.93 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.573 ' OD2' HD22 ' A' ' 57' ' ' LEU . 17.8 t70 -92.25 -17.03 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 67.7 mt -95.26 -30.04 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.3 mtpt -55.71 -45.57 99.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.8 Cg_exo -47.97 -48.02 17.48 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.74 -53.92 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' HD22 ' A' ' 92' ' ' LEU . 21.9 m-85 -58.64 -24.82 61.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.78 -1.27 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -87.13 -18.52 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 103' ' ' ALA . 78.7 m-85 -100.52 -47.19 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.92 -170.48 32.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -83.64 122.11 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 66' ' ' PHE . 26.7 mt -70.54 142.93 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -101.08 -34.05 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -162.33 133.35 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.572 HD23 ' HG3' ' A' ' 63' ' ' LYS . 12.0 tp -138.54 120.03 14.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.5 m -140.15 139.16 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.666 HG23 ' HG3' ' A' ' 59' ' ' GLU . 96.1 t -94.79 132.4 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 91' ' ' PHE . 15.9 mt -79.4 122.89 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -126.44 165.45 19.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.77 178.01 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.6 mmm180 -114.31 -51.45 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mp -72.85 -38.08 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.4 p -102.6 -31.78 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.25 25.0 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' HIS . 86.7 mt -96.98 128.55 44.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.492 ' NE2' HG11 ' A' ' 77' ' ' VAL . 38.7 t-80 -35.32 105.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -59.07 -46.75 87.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.04 42.3 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 p -166.87 167.45 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' ILE . . . -158.94 151.1 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.51 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.4 m-85 -101.16 113.72 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.575 HD22 ' CE1' ' A' ' 66' ' ' PHE . 25.7 tp -106.36 134.74 49.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 m -124.36 140.58 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.1 m-85 -111.62 140.76 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.8 p -58.95 -42.3 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.19 149.4 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -57.41 -59.88 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.627 ' HA ' HD12 ' A' ' 101' ' ' LEU . 5.8 t70 -41.43 -61.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.4 m -39.17 -40.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.87 -47.07 69.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.7 mt -57.5 -47.01 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 5.9 mtpm? -59.35 -68.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB2' ' CG ' ' A' ' 69' ' ' PHE . . . -51.27 -31.0 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -69.25 -60.82 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -78.34 -4.99 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.22 -18.01 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 69' ' ' PHE . 90.5 mt -113.15 -44.63 3.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.55 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 75.7 t60 -44.64 108.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 56.61 40.86 29.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 2.9 mp0 -129.21 -45.23 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -100.0 179.44 4.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 17.7 m -154.04 108.87 3.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.48 156.94 87.39 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.16 5.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 109.66 -14.99 32.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.8 mmt -104.8 125.44 50.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.97 -33.46 73.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.65 161.29 26.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.66 4.36 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.456 HG12 HG23 ' A' ' 122' ' ' VAL . 1.7 tt -87.13 134.17 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -105.92 120.94 43.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 50' ' ' VAL . 23.4 t -134.64 115.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -130.35 155.05 81.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t70 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -58.82 -38.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -109.19 36.34 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.44 174.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.7 mt -141.99 135.04 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -94.1 123.57 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.82 HD22 HG12 ' A' ' 122' ' ' VAL . 34.8 mt -93.47 122.04 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -105.02 126.73 52.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 122' ' ' VAL . 21.8 t -106.04 132.36 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.59 36.27 2.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.548 ' O ' HD12 ' A' ' 113' ' ' LEU . 75.6 mm-40 -134.59 41.19 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.412 HD13 HD11 ' A' ' 62' ' ' LEU . 40.5 mt -107.63 116.75 57.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.8 Cg_endo -69.75 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -109.24 118.79 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.23 -27.56 2.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.3 mt -99.93 171.12 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -142.7 -174.99 4.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' CD ' ' CG2' ' A' ' 77' ' ' VAL . 6.2 mm-40 -58.67 -20.07 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -68.81 -19.55 64.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 t70 -99.2 -21.5 16.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 57.7 mt -90.45 -37.93 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mmmp? -47.48 -46.98 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.526 0.679 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.0 Cg_exo -48.01 -55.04 4.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD21 ' HE3' ' A' ' 111' ' ' LYS . 27.8 mt -62.97 -50.36 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.791 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.0 m-85 -59.61 -25.37 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.42 -0.16 55.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -88.18 -20.84 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.06 -42.53 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.52 175.01 46.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.13 135.5 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.791 HD11 ' HB2' ' A' ' 66' ' ' PHE . 43.9 mt -87.9 156.39 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.479 ' N ' HG22 ' A' ' 72' ' ' ILE . 16.3 t80 -108.45 -49.96 3.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -145.11 138.82 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.418 ' HG ' ' CD ' ' A' ' 59' ' ' GLU . 28.4 tp -142.68 121.33 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -144.5 130.89 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG2' ' CD ' ' A' ' 59' ' ' GLU . 26.0 t -84.55 136.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD11 ' CE2' ' A' ' 91' ' ' PHE . 14.3 mt -90.32 128.28 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -126.52 177.56 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.12 169.12 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -108.39 -45.16 3.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.21 -37.63 57.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.7 p -100.05 -46.09 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.7 17.56 59.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 mt -89.96 149.17 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -54.8 100.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -55.52 -48.06 75.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.2 40.5 0.44 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 3.3 m -156.81 161.5 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.05 141.27 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CE2' HD11 ' A' ' 78' ' ' LEU . 7.2 m-85 -95.07 113.64 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.512 HD22 ' CD1' ' A' ' 66' ' ' PHE . 19.4 tp -109.07 138.59 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -129.0 122.37 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.73 139.76 31.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.6 m -55.22 -48.39 73.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.84 161.7 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.8 ptm180 -77.56 -41.06 40.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 1.1 m-20 -56.73 -53.01 62.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 m -48.73 -35.46 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -52.74 28.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.6 mt -47.84 -53.46 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 106' ' ' ALA . 41.7 mttm -55.29 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.45 -30.39 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.77 -63.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -76.41 -2.69 33.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -96.32 -26.92 15.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.3 mt -108.07 -39.51 5.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -48.34 110.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 55.44 41.7 30.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -130.39 -45.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.535 ' HE3' HD21 ' A' ' 65' ' ' LEU . 4.6 tptp -99.25 158.74 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 m -134.8 92.88 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 52' ' ' GLN . 48.8 mt -42.38 155.81 0.25 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.07 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.8 -0.36 39.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 39.5 mmm -106.97 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -52.79 -34.32 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.79 155.52 36.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -171.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.4 tt -95.91 136.19 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.73 119.66 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 50' ' ' VAL . 47.7 t -132.11 115.55 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -124.2 150.5 63.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.698 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.8 Cg_endo -69.8 80.57 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 97' ' ' ARG . 18.8 p-10 -114.14 36.8 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.1 mt -142.71 135.29 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 49.4 tttp -98.08 102.61 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 HG12 ' A' ' 122' ' ' VAL . 54.8 mt -76.93 148.84 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -128.14 126.85 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 122' ' ' VAL . 92.2 t -107.91 128.66 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.51 34.12 3.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 80.4 mm-40 -134.34 41.19 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.548 HD13 HD11 ' A' ' 62' ' ' LEU . 33.0 mt -107.38 113.94 61.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.92 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.27 133.91 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.01 -26.61 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.758 HD22 ' OD2' ' A' ' 61' ' ' ASP . 48.6 mt -99.97 162.43 12.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -136.27 -175.37 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.601 ' CG ' HG23 ' A' ' 77' ' ' VAL . 22.4 mt-10 -58.16 -18.31 24.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -80.81 -16.22 54.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.758 ' OD2' HD22 ' A' ' 57' ' ' LEU . 8.1 t70 -96.98 -23.18 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 HD13 ' A' ' 53' ' ' ILE . 79.0 mt -92.1 -25.54 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.3 tttt -55.1 -45.34 99.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.5 Cg_exo -47.94 -55.63 3.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.93 -52.85 63.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.835 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.9 m-85 -58.06 -26.27 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.49 -4.39 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -79.98 -21.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 88.3 m-85 -105.01 -45.79 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 171.63 40.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -69.72 134.08 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.835 HD11 ' HB2' ' A' ' 66' ' ' PHE . 42.7 mt -82.25 144.95 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.7 t80 -100.0 -30.95 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -172.05 137.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 tp -133.42 121.3 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -129.26 137.35 51.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' CG ' ' A' ' 59' ' ' GLU . 96.6 t -102.14 136.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -85.59 128.26 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -136.43 149.71 48.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.35 170.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -111.68 -40.01 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.47 -35.71 53.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.2 p -100.96 -33.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.77 21.03 79.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.6 164.38 13.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' NE2' HG11 ' A' ' 77' ' ' VAL . 6.3 t-80 -72.78 99.88 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -51.28 -50.77 58.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.93 40.22 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -155.01 163.6 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.07 138.01 6.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.531 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 45.3 m-85 -92.77 119.89 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.752 HD22 ' CD1' ' A' ' 66' ' ' PHE . 34.2 tp -103.79 135.96 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.8 m -127.33 118.24 23.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.455 ' CE2' HD21 ' A' ' 92' ' ' LEU . 20.5 m-85 -94.84 144.79 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.13 -38.66 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.7 176.26 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -89.85 -34.26 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 11.3 t0 -61.69 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.5 m -40.49 -37.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 104' ' ' GLN . . . -67.87 -50.69 54.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.4 mt -57.62 -47.0 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 24.2 mtmt -60.71 -68.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -36.7 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 100' ' ' ALA . 4.4 tt0 -61.43 -64.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.6 m -74.24 -4.78 38.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.33 -22.1 16.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.5 mt -108.59 -40.44 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -49.79 108.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 56.97 40.25 28.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -128.08 -45.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -100.16 159.42 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 55.1 m -134.13 96.77 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.3 mt -53.32 156.41 4.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.48 0.78 62.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -114.13 108.73 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -56.62 -32.35 65.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.45 ' NE ' ' HD2' ' A' ' 119' ' ' PRO . 15.4 mmm180 -99.92 156.28 35.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HD2' ' NE ' ' A' ' 118' ' ' ARG . 53.8 Cg_endo -69.74 -176.63 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 5.0 tt -90.65 138.58 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 mp0 -111.49 119.59 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 50' ' ' VAL . 42.2 t -131.53 125.78 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -137.43 154.42 75.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.72 84.0 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.28 . . . . 0.0 112.38 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -64.43 -18.28 64.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.3 27.74 7.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 179.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -142.38 138.87 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -101.14 121.53 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.6 136.42 33.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -118.9 117.23 28.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 122' ' ' VAL . 47.0 t -97.44 134.64 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.41 30.28 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.518 ' H ' HG12 ' A' ' 50' ' ' VAL . 35.5 tp60 -131.78 42.44 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.53 HD12 ' C ' ' A' ' 89' ' ' CYS . 21.1 mt -100.5 113.68 65.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.45 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -104.41 118.37 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.1 -17.25 4.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -101.9 164.15 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -141.09 -176.33 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.511 ' HG3' HG23 ' A' ' 77' ' ' VAL . 21.8 mt-10 -59.99 -19.13 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -82.53 -9.26 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -107.1 -18.37 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 82.3 mt -96.09 -19.05 19.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 tttp -63.78 -45.21 81.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -48.0 -50.65 11.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.695 HD22 ' NZ ' ' A' ' 111' ' ' LYS . 94.0 mt -66.33 -49.36 67.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 17.0 m-85 -64.27 -22.61 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.6 -0.18 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.14 -18.4 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -100.94 -42.92 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.64 -178.91 44.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -71.89 134.91 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 66' ' ' PHE . 64.8 mt -81.47 159.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.533 ' N ' HG22 ' A' ' 72' ' ' ILE . 6.2 t80 -114.47 -38.07 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -169.22 126.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.14 120.6 33.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.0 m -135.98 139.08 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 59' ' ' GLU . 72.3 t -97.13 135.2 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.407 HD21 ' CE2' ' A' ' 91' ' ' PHE . 40.6 mt -84.91 133.19 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -136.13 151.04 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.67 -179.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -115.69 -39.2 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.3 -37.15 53.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.9 p -107.89 -13.72 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 48.12 25.7 4.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -96.0 160.11 14.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -62.53 102.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -61.42 -39.08 89.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.07 41.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.53 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -160.5 155.58 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB3' HD11 ' A' ' 53' ' ' ILE . . . -150.14 142.63 24.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.407 ' CE2' HD21 ' A' ' 78' ' ' LEU . 7.2 m-85 -94.29 111.06 22.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 tp -103.0 138.56 39.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -124.18 139.7 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -114.52 137.61 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 96' ' ' ALA . 3.1 p -62.67 -40.56 97.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' N ' ' SG ' ' A' ' 95' ' ' CYS . . . -94.95 177.37 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -97.78 -32.15 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.0 p-10 -71.85 -48.53 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.3 m -40.15 -47.83 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.0 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 98' ' ' ASP . 21.9 mt -54.04 -48.16 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -62.86 -69.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.17 -25.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.96 -65.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.8 t -71.28 -4.67 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.02 -21.24 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 92.2 mt -110.6 -47.62 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -41.45 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 54.76 41.47 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.89 -44.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.695 ' NZ ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -100.0 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -146.43 105.59 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.98 155.48 63.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.56 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.44 -7.31 26.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -111.78 109.49 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.16 -34.49 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -94.0 155.84 39.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.38 8.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.418 HG12 HG23 ' A' ' 122' ' ' VAL . 2.9 tt -86.65 125.82 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.23 119.88 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 50' ' ' VAL . 34.3 t -129.37 118.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -124.14 147.36 54.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.8 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 4.7 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -66.12 -29.93 70.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.95 28.51 8.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 42' ' ' ASP . . . -65.25 178.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 mt -121.08 134.02 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 32.6 tttt -94.79 104.7 16.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.604 HD22 HG12 ' A' ' 122' ' ' VAL . 31.6 mt -77.14 138.75 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 89' ' ' CYS . 24.9 t80 -122.04 123.24 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.63 133.0 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.48 31.67 3.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 28.9 mm-40 -134.13 39.25 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.4 116.13 63.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -105.48 120.96 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.36 -23.23 3.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.3 164.35 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.46 -174.99 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.507 ' HG3' HG23 ' A' ' 77' ' ' VAL . 25.5 mp0 -56.46 -22.9 35.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.58 -18.88 60.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.98 -15.26 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 61.2 mt -95.88 -33.94 12.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.663 ' HG2' HD13 ' A' ' 72' ' ' ILE . 11.7 mtmm -52.68 -45.53 96.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -47.93 -50.35 11.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.5 -50.84 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.868 ' HB2' HD11 ' A' ' 72' ' ' ILE . 25.9 m-85 -58.58 -24.11 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -82.62 -0.01 45.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.53 -20.44 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.506 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 89.5 m-85 -108.41 -47.57 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -156.16 174.11 34.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -79.67 127.28 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.868 HD11 ' HB2' ' A' ' 66' ' ' PHE . 28.7 mt -71.39 152.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -118.89 -48.53 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -142.99 119.55 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 tp -128.51 123.91 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -142.89 118.52 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 59' ' ' GLU . 91.3 t -76.71 132.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 91' ' ' PHE . 28.6 mt -79.84 129.44 34.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.57 149.55 43.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.21 -177.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.656 ' CG ' HD12 ' A' ' 82' ' ' LEU . 8.0 ptp180 -120.78 -43.11 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 81' ' ' ARG . 5.4 mp -71.51 -33.68 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 -33.76 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.51 76.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.28 170.1 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -79.29 93.87 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -50.53 -45.08 56.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.43 40.88 0.41 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 4.3 m -156.2 163.47 39.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.58 144.59 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 78' ' ' LEU . 22.2 m-85 -98.79 114.55 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.622 HD22 ' CD1' ' A' ' 66' ' ' PHE . 15.4 tp -106.33 143.82 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.8 m -131.8 123.32 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.555 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 11.8 m-85 -95.67 123.17 39.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.1 p -35.21 -39.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.32 165.47 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 16.1 ptt-85 -76.32 -38.12 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 101' ' ' LEU . 32.0 m-20 -59.74 -54.81 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.555 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 29.5 m -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 94' ' ' TYR . . . -69.77 -56.69 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.045 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 98' ' ' ASP . 24.4 mt -43.27 -49.24 6.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -61.84 -70.07 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.11 -27.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.79 -58.49 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -77.73 -6.14 53.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.506 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -99.78 -20.51 16.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.074 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.2 mt -110.55 -40.43 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -50.35 102.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 63.88 37.78 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -126.96 -44.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.04 159.05 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 83.0 m -134.64 98.02 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.7 mt -50.21 153.6 2.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 109.66 2.37 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.16 7.7 32.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 29.3 mmm -118.24 115.69 25.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.11 -37.03 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -99.89 158.19 32.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.95 2.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.3 tt -91.02 141.3 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -112.09 119.81 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.604 HG12 HD22 ' A' ' 48' ' ' LEU . 21.7 t -131.74 117.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -130.77 152.84 81.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.11 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.854 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.895 0.379 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -64.97 -27.09 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -113.42 28.01 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 178.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -141.26 144.03 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -105.81 115.37 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.0 mt -85.51 142.94 28.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 42.8 t80 -123.0 132.21 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.48 132.5 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.61 28.81 5.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' O ' HD12 ' A' ' 113' ' ' LEU . 60.2 mm-40 -134.42 37.7 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mt -101.71 113.36 65.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.583 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.7 Cg_endo -69.72 -172.74 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -102.44 118.22 36.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.9 -28.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.7 mt -99.93 176.65 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.952 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -145.49 -176.27 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HB3' HD23 ' A' ' 75' ' ' LEU . 14.3 mt-10 -60.68 -23.74 65.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -71.84 -24.5 61.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.8 t70 -91.27 -21.78 20.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.76 -25.79 18.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.701 ' HG3' HD12 ' A' ' 72' ' ' ILE . 28.4 tttp -55.23 -45.78 99.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.0 -55.51 3.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' HE2' ' A' ' 111' ' ' LYS . 87.0 mt -60.18 -56.35 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.606 ' HB2' HD11 ' A' ' 72' ' ' ILE . 25.7 m-85 -57.34 -28.17 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.93 -6.2 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.15 -14.1 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -110.27 -34.26 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.66 175.89 47.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -78.75 125.81 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.701 HD12 ' HG3' ' A' ' 63' ' ' LYS . 60.0 mt -70.13 150.09 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -104.92 -32.98 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -166.01 126.6 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' A' ' 59' ' ' GLU . 12.2 tp -128.08 120.51 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 90' ' ' ALA . 37.1 t -91.67 139.61 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -89.83 120.3 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -128.32 154.05 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.99 176.72 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -118.67 -43.72 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.88 -42.94 76.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.6 p -100.26 -33.02 10.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.59 21.31 77.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.86 148.57 22.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -56.45 103.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -50.41 -51.39 46.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.66 42.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 2.0 p -171.66 162.38 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -155.4 148.59 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.77 117.58 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.455 HD22 ' CE1' ' A' ' 66' ' ' PHE . 17.8 tp -109.84 138.89 45.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -126.24 130.29 50.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 9.6 m-85 -101.99 149.14 24.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.7 m -70.88 -39.17 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.87 160.62 15.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -33.36 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 101' ' ' LEU . 4.5 t70 -73.04 -52.19 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -40.07 -44.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.59 -53.13 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 98' ' ' ASP . 29.8 mt -47.44 -53.25 14.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -56.24 -67.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.33 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.78 -52.97 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 t -80.11 -6.47 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.37 -21.0 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.31 -45.67 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -47.04 111.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 53.55 40.34 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.78 -44.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.43 ' HE2' HD22 ' A' ' 65' ' ' LEU . 5.8 mmtm -98.96 171.23 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.3 m -147.11 107.09 3.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 52' ' ' GLN . 63.1 mt -62.77 154.45 75.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.664 0.745 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 108.12 2.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.85 6.87 24.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.1 mmt -119.64 114.05 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -56.16 -37.86 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 162.04 22.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.49 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -95.3 144.15 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.429 ' NE2' ' HG3' ' A' ' 52' ' ' GLN . 2.4 mp0 -113.37 119.85 39.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.4 t -130.38 115.9 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -125.39 155.33 71.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -58.27 -38.24 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -108.33 38.0 2.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mt -144.1 127.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.529 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 29.2 tttt -87.36 101.85 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.56 140.33 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.15 124.4 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.797 HG22 HG22 ' A' ' 122' ' ' VAL . 51.8 t -103.21 135.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.46 31.5 3.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.614 ' O ' HD12 ' A' ' 113' ' ' LEU . 91.4 mm-40 -134.36 40.43 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.712 HD13 HD11 ' A' ' 62' ' ' LEU . 44.9 mt -104.5 119.05 55.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.4 Cg_endo -69.78 -178.76 2.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HD3' HD22 ' A' ' 85' ' ' LEU . 27.6 ttm180 -96.72 117.33 30.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.75 -21.06 2.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.93 151.32 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.3 -175.05 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.89 -33.73 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.02 -21.07 62.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.1 m-20 -87.13 -28.92 22.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 53' ' ' ILE . 88.3 mt -89.34 -36.66 15.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.5 mttt -46.99 -47.21 54.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -47.96 -48.4 16.39 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.58 -57.52 8.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.728 ' HB2' HD11 ' A' ' 72' ' ' ILE . 29.8 m-85 -57.63 -27.18 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG2' HD12 ' A' ' 72' ' ' ILE . 7.5 mm-40 -79.19 -2.22 39.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.72 -19.61 44.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 95.4 m-85 -105.99 -49.73 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.43 164.78 31.18 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -68.9 112.11 5.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 66' ' ' PHE . 43.0 mt -58.8 149.99 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -104.13 -34.54 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -175.2 121.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.48 130.64 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -139.97 112.25 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 89' ' ' CYS . 5.1 p -89.17 126.52 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.0 141.88 45.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -139.68 144.15 37.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.2 t70 -41.44 161.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -108.23 -36.5 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.78 -40.46 61.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -102.2 -33.73 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.79 25.56 57.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.482 HD22 ' HD3' ' A' ' 55' ' ' ARG . 13.9 mt -97.47 172.59 7.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.544 ' NE2' HG21 ' A' ' 77' ' ' VAL . 17.7 t-80 -68.34 112.13 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 5.8 mtpm? -63.64 -54.03 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.11 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.567 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.9 p -174.28 163.39 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -161.17 145.18 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.529 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 22.6 m-85 -96.36 109.08 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.685 HD22 ' CD1' ' A' ' 66' ' ' PHE . 12.4 tp -99.51 138.48 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.6 m -123.52 123.37 40.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.624 ' CE2' HD21 ' A' ' 92' ' ' LEU . 15.2 m-85 -98.96 138.06 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.37 -42.01 94.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.617 ' HB1' ' OD1' ' A' ' 98' ' ' ASP . . . -108.08 140.94 40.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptt180 -61.13 -29.1 69.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.617 ' OD1' ' HB1' ' A' ' 96' ' ' ALA . 4.0 p-10 -69.45 -56.86 6.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -43.83 -35.47 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -69.39 -50.43 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 98' ' ' ASP . 18.9 mt -51.83 -46.95 64.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 106' ' ' ALA . 81.2 mttt -61.76 -67.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.28 -38.09 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 5.0 tt0 -64.74 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.0 t -74.73 -4.63 38.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.56 -26.32 14.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.01 -41.94 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.449 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 57.0 t60 -47.41 107.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 56.56 37.87 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 5.6 mp0 -129.66 -44.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -100.02 158.82 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.0 m -134.9 100.88 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 52' ' ' GLN . 42.3 mt -51.15 154.53 2.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.32 17.24 14.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.9 mmm -125.76 120.2 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.76 -35.86 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 80.3 mtm-85 -98.93 155.89 36.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.86 3.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.426 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 13.6 tt -88.92 135.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.408 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 31.3 mt-30 -109.4 119.72 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.797 HG22 HG22 ' A' ' 50' ' ' VAL . 44.4 t -130.88 126.54 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 151.51 76.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -68.35 -35.61 78.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -108.76 37.77 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.47 -179.0 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 47' ' ' LYS . 38.8 mt -138.96 154.54 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 46' ' ' ILE . 19.7 tptt -105.47 122.26 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 94' ' ' TYR . 60.2 mt -95.24 134.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 122' ' ' VAL . 11.0 t -103.62 132.31 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.4 34.36 3.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.612 ' O ' HD12 ' A' ' 113' ' ' LEU . 27.2 mm100 -134.53 40.54 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.1 mt -106.33 113.76 62.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.5 Cg_endo -69.77 -179.59 3.02 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -95.32 117.31 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 -30.63 1.84 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.95 166.61 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.59 -176.17 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.713 ' HG3' HG23 ' A' ' 77' ' ' VAL . 21.4 mp0 -57.38 -22.78 44.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.23 -14.64 60.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-20 -103.97 -20.84 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 74.3 mt -91.07 -33.32 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 6.4 ttmm -49.85 -45.96 80.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.93 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -48.01 -53.86 6.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD22 ' HE2' ' A' ' 111' ' ' LYS . 51.6 mt -65.09 -54.11 35.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' HD22 ' A' ' 92' ' ' LEU . 22.5 m-85 -58.02 -25.85 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -83.16 -0.1 47.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -87.06 -13.68 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -108.74 -55.64 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.0 175.8 28.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -80.98 112.6 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 66' ' ' PHE . 20.1 mt -59.45 142.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 6.4 t80 -99.94 -34.6 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -169.0 121.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 tp -120.4 134.88 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -147.14 138.63 24.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.713 HG23 ' HG3' ' A' ' 59' ' ' GLU . 79.2 t -102.34 134.86 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.478 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -85.77 135.02 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -139.11 141.47 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.37 164.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -6.29 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -102.34 -46.33 4.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.9 p -104.4 -31.95 9.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.95 25.43 60.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.35 128.3 42.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -38.36 101.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.42 ' CE ' ' HB3' ' A' ' 78' ' ' LEU . 27.1 mtmt -54.03 -50.68 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.69 42.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -165.29 163.16 20.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.16 146.56 15.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.7 m-85 -93.91 120.95 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 66' ' ' PHE . 21.9 tp -109.85 133.21 53.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -121.72 133.15 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.448 ' CD2' HD12 ' A' ' 48' ' ' LEU . 12.7 m-85 -108.84 138.47 45.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -56.98 -43.48 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.39 158.6 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 20.1 ttm180 -68.31 -59.14 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -41.85 -59.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.4 m -41.51 -36.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 97' ' ' ARG . . . -71.14 -52.73 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.36 -45.09 80.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -57.79 -68.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . -52.85 -40.6 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 4.0 tt0 -59.69 -55.65 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.3 t -76.54 -12.5 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 110' ' ' GLN . . . -96.66 -20.18 18.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' ALA . 86.4 mt -106.21 -43.15 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 104' ' ' GLN . 61.8 t60 -49.59 101.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 67.24 37.27 3.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 12.5 mp0 -125.84 -44.77 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' HE2' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -100.25 158.94 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.7 m -135.06 99.29 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 52' ' ' GLN . 80.0 mt -56.67 154.99 15.59 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.24 3.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.57 15.04 30.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.4 mmm -127.56 97.36 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -44.88 -33.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -100.06 155.4 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.71 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 9.0 tt -88.58 136.16 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.405 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 27.5 mt-30 -109.65 119.73 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 50' ' ' VAL . 21.8 t -132.32 122.98 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -135.99 152.03 74.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.2 Cg_endo -69.7 81.43 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.783 0.325 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -44.59 -31.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -111.88 39.02 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.77 172.46 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.07 152.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -107.32 105.45 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD22 HG12 ' A' ' 122' ' ' VAL . 35.7 mt -79.01 138.81 38.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 125' ' ' ALA . 65.4 t80 -121.65 121.94 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 122' ' ' VAL . 5.1 t -104.82 132.32 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.24 34.04 4.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.641 ' O ' HD12 ' A' ' 113' ' ' LEU . 9.3 tp-100 -133.18 43.14 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -108.89 112.33 60.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.551 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.8 Cg_endo -69.83 177.28 5.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.324 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 139.79 30.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.3 -25.37 9.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' OD2' ' A' ' 61' ' ' ASP . 53.0 mt -99.93 -178.02 3.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -160.59 -176.3 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' HG ' ' A' ' 75' ' ' LEU . 32.5 mp0 -51.45 -20.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 8.0 pt20 -72.08 -31.75 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 5.9 t70 -90.3 -19.46 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 17.0 mt -91.63 -35.14 14.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.935 ' HD3' HD12 ' A' ' 72' ' ' ILE . 4.4 mmtm -46.3 -47.63 45.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -47.99 -55.19 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.29 -55.35 29.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.86 ' HB2' HD11 ' A' ' 72' ' ' ILE . 21.2 m-85 -57.49 -27.69 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -83.76 -0.67 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -82.79 -23.14 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.414 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 96.9 m-85 -102.55 -42.36 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.58 172.25 44.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -67.38 150.06 49.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.935 HD12 ' HD3' ' A' ' 63' ' ' LYS . 81.7 mt -100.25 158.81 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.521 ' N ' HG22 ' A' ' 72' ' ' ILE . 3.4 t80 -107.15 -35.32 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -171.83 125.27 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 8.0 tp -119.54 121.28 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -139.44 126.37 20.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.782 HG12 ' HB2' ' A' ' 90' ' ' ALA . 29.3 m -93.22 152.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -99.06 136.22 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -133.47 144.35 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.86 172.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -110.77 -43.83 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.41 -40.41 89.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.2 p -103.5 -50.22 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 25.45 17.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.3 mt -99.36 143.31 29.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -46.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -45.52 -55.72 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.61 41.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.74 166.75 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.782 ' HB2' HG12 ' A' ' 77' ' ' VAL . . . -159.12 150.6 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -97.9 117.28 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' ' 66' ' ' PHE . 18.5 tp -108.79 127.32 53.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.1 m -115.2 115.57 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.1 m-85 -87.24 139.44 30.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.74 -37.79 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.0 168.88 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -80.77 -48.35 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.505 ' HA ' HD12 ' A' ' 101' ' ' LEU . 1.4 m-20 -54.02 -55.82 23.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -43.42 -39.77 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -70.58 -54.2 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 98' ' ' ASP . 17.3 mt -49.53 -47.24 49.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 35.7 mtpt -60.34 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -32.72 11.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -69.13 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -75.01 -2.5 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -100.09 -20.79 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.454 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 85.4 mt -113.47 -42.24 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -40.08 109.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 56.27 42.28 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' LEU . 8.7 mt-30 -133.8 -44.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.512 ' O ' HG22 ' A' ' 120' ' ' ILE . 9.9 mmmt -100.04 172.89 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.1 m -155.96 113.05 3.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' GLN . 23.8 mt -62.99 157.44 61.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 108.59 2.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.36 11.68 17.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -124.02 123.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -69.22 -35.04 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -93.93 154.15 40.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.8 Cg_endo -69.77 178.0 5.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 111' ' ' LYS . 2.4 tt -86.69 120.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -100.37 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.437 HG23 HG12 ' A' ' 120' ' ' ILE . 21.4 t -129.26 118.55 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -129.65 153.37 80.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.78 85.1 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.79 0.328 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.28 1.07 55.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.84 157.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mt -131.77 145.63 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 18.4 tttt -102.49 105.58 16.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.17 148.38 32.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.2 136.3 50.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.45 135.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.75 31.37 3.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' O ' HD12 ' A' ' 113' ' ' LEU . 17.9 mm100 -133.07 40.09 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.2 mt -103.07 116.35 62.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -166.35 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.403 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -109.02 118.79 37.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.96 -21.76 3.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -106.17 170.41 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.04 -179.6 6.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.715 ' CD ' HG13 ' A' ' 77' ' ' VAL . 1.2 mm-40 -55.93 -26.13 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -69.16 -21.96 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -95.63 -18.85 20.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 60.2 mt -94.21 -27.23 16.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 ttmp? -55.74 -45.18 99.92 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.04 -49.11 14.63 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.15 -48.29 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.896 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.8 m-85 -62.73 -25.1 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -81.28 -3.24 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.48 -19.07 36.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -101.62 -40.14 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.17 174.0 46.39 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -66.97 130.47 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.896 HD11 ' HB2' ' A' ' 66' ' ' PHE . 83.6 mt -78.22 155.65 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 17.5 t80 -109.86 -46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -148.71 140.24 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.436 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 7.6 tp -144.71 115.71 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 m -145.12 123.89 12.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.715 HG13 ' CD ' ' A' ' 59' ' ' GLU . 32.1 m -77.84 152.86 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.53 139.71 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -136.21 151.78 50.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.6 m-20 -46.0 172.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -110.41 -29.11 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 10.2 mt -77.27 -44.47 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.8 p -108.25 -35.21 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.47 19.88 55.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.7 mt -86.12 143.27 28.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -45.89 116.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 29.1 mtmt -75.09 -56.43 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.36 43.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.5 170.77 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.45 ' HB2' HG12 ' A' ' 77' ' ' VAL . . . -163.07 144.54 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 6.2 m-85 -92.91 116.6 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.9 tp -115.14 130.64 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.8 m -122.13 130.98 53.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 10.9 m-85 -96.87 144.68 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 p -61.95 -31.75 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.9 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.36 15.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -59.55 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.9 m -50.02 -32.68 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 94' ' ' TYR . . . -72.75 -47.96 42.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.29 -52.01 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 25.4 mtpp -56.75 -68.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.08 -26.72 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.19 -63.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.4 t -76.77 -6.07 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -95.68 -22.31 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -110.26 -37.99 5.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -50.16 106.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 60.74 37.53 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -126.12 -44.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.06 158.85 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 52.3 m -132.94 102.98 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 52' ' ' GLN . 42.1 mt -57.64 155.71 20.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 120.92 7.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.91 7.94 63.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mmm -118.39 98.44 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -45.65 -33.67 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -99.82 155.82 36.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -167.0 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.6 tt -99.49 139.82 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -112.67 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 23.9 t -133.14 125.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 156.38 72.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.7 Cg_endo -69.77 85.32 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -64.72 -34.92 79.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.72 10.11 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.51 165.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.9 mt -136.5 148.84 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 25.1 tttt -106.97 102.93 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 HG12 ' A' ' 122' ' ' VAL . 48.0 mt -79.07 144.78 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -126.63 126.28 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.089 HG22 HG22 ' A' ' 122' ' ' VAL . 96.5 t -103.14 138.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.54 34.53 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.521 ' H ' HG12 ' A' ' 50' ' ' VAL . 61.0 tp60 -134.59 42.35 2.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.6 mt -103.12 112.71 65.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 178.84 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -93.88 116.9 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.65 -29.59 2.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 mt -101.58 161.67 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.33 -175.12 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.661 ' OE2' HG23 ' A' ' 77' ' ' VAL . 32.5 mp0 -55.1 -18.95 6.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -71.87 -24.12 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.41 -11.78 20.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 36.8 mt -96.53 -33.32 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.732 ' HG3' HD12 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -51.02 -45.54 88.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.556 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -47.95 -55.87 3.62 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.28 -55.11 35.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.797 ' CE1' HD22 ' A' ' 92' ' ' LEU . 25.3 m-85 -56.22 -29.94 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.36 -11.3 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -78.64 -17.3 56.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.427 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 93.4 m-85 -105.97 -49.8 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.74 171.69 38.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -73.56 120.84 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.743 HD11 ' HB2' ' A' ' 66' ' ' PHE . 49.9 mt -67.01 143.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -99.98 -30.62 11.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -172.07 124.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 ' HB3' ' A' ' 59' ' ' GLU . 24.5 tp -124.63 128.91 49.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -142.57 138.57 30.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.661 HG23 ' OE2' ' A' ' 59' ' ' GLU . 97.2 t -98.69 137.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.645 HD11 ' CE2' ' A' ' 91' ' ' PHE . 22.8 mt -88.45 141.58 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -137.31 168.55 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.69 -177.44 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -120.15 -59.94 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.28 -39.76 91.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 p -101.3 -45.69 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.9 27.33 50.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.6 mt -96.34 133.75 40.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -43.54 97.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -50.99 -45.29 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.75 35.13 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.9 m -149.75 163.65 37.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.67 147.04 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 78' ' ' LEU . 16.6 m-85 -96.59 114.4 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.797 HD22 ' CE1' ' A' ' 66' ' ' PHE . 11.3 tp -106.04 137.16 44.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -129.85 125.49 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.5 m-85 -95.25 151.32 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.2 p -75.76 -30.35 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -112.84 145.0 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.74 -53.88 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.5 m -42.6 -36.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -73.9 -55.71 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.5 mt -49.83 -49.76 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 106' ' ' ALA . 59.3 mttt -57.51 -68.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.01 -35.99 11.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -63.22 -57.64 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.1 t -80.39 -5.99 57.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -98.72 -20.67 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -111.96 -45.02 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.552 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 78.2 t60 -47.21 108.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.461 ' CG ' ' OE1' ' A' ' 121' ' ' GLN . 14.2 mt-10 59.37 38.14 23.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -130.22 -44.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -100.4 156.44 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 56.8 m -133.09 99.24 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.8 mt -55.59 155.97 9.65 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.25 -1.99 56.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -111.97 118.08 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -64.81 -33.1 75.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.469 ' HG2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -100.14 156.39 35.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 176.09 7.25 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.47 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -86.72 130.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.552 ' OE1' ' CE1' ' A' ' 108' ' ' HIS . 12.5 mm100 -103.28 119.58 39.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 1.089 HG22 HG22 ' A' ' 50' ' ' VAL . 41.1 t -130.14 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.04 155.47 70.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 87.75 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.384 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 45' ' ' ALA . 10.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -41.51 -35.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -107.16 41.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 42' ' ' ASP . . . -71.36 178.12 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.14 152.62 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ALA . 6.7 ttpm? -110.57 117.36 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.65 141.93 28.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 2.8 t80 -123.84 126.82 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.547 HG22 HG22 ' A' ' 122' ' ' VAL . 18.1 t -103.59 133.65 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.68 32.39 3.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 46.0 tp60 -133.4 41.06 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.727 0.299 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mt -105.74 114.76 62.57 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -167.68 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -106.72 118.77 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.71 -24.99 3.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.38 169.93 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.06 -175.1 4.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 77' ' ' VAL . 1.3 mm-40 -56.79 -25.17 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.04 -20.4 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -97.81 -18.25 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 96.4 mt -92.04 -34.47 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.746 ' HD2' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -48.26 -46.75 67.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.8 Cg_exo -48.0 -43.99 28.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.8 mt -74.67 -54.48 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.924 ' HB2' HD11 ' A' ' 72' ' ' ILE . 20.3 m-85 -58.43 -24.05 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -82.95 -5.65 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.55 -20.86 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 106' ' ' ALA . 89.2 m-85 -101.14 -46.89 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.94 -173.45 34.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -86.27 125.94 33.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 66' ' ' PHE . 58.6 mt -72.41 143.66 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 5.0 t80 -100.62 -33.81 10.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -160.34 115.93 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' ' 72' ' ' ILE . 7.3 tp -121.39 114.72 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 77' ' ' VAL . 3.4 m -137.1 154.53 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 59' ' ' GLU . 47.3 t -114.15 137.03 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 91' ' ' PHE . 18.2 mt -86.3 131.05 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -129.53 160.79 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.74 -177.39 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -39.4 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.71 -41.83 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.7 p -101.16 -8.09 22.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 42.18 29.88 0.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.7 mt -97.54 172.39 7.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -74.46 107.96 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -57.87 -50.37 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.51 42.43 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -171.8 151.27 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.65 153.95 49.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 78' ' ' LEU . 3.7 m-85 -103.57 110.44 22.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.509 HD11 HG12 ' A' ' 72' ' ' ILE . 23.3 tp -108.59 138.26 45.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -130.87 120.02 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.3 m-85 -86.85 142.59 27.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -62.91 -39.34 94.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.54 -179.46 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -93.25 -41.1 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 101' ' ' LEU . 10.8 t0 -69.31 -47.0 65.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.459 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 68.7 m -41.06 -43.66 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -65.71 -55.19 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 98' ' ' ASP . 14.8 mt -50.49 -45.26 56.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -60.14 -69.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB2' ' CG ' ' A' ' 69' ' ' PHE . . . -54.63 -20.03 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -77.92 -53.59 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.7 t -80.35 -9.54 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HB3' ' CE2' ' A' ' 69' ' ' PHE . . . -95.84 -17.79 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.3 mt -113.17 -44.29 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -48.61 102.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 64.61 36.81 8.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -128.85 -43.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -98.81 157.39 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.2 m -134.97 96.22 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 52' ' ' GLN . 63.5 mt -52.35 154.79 4.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.61 4.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.98 -1.68 41.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.1 mmt -112.86 118.02 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -63.06 -34.08 76.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -99.06 156.69 35.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 178.03 4.96 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.3 tt -86.99 132.98 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -105.51 119.98 40.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.547 HG22 HG22 ' A' ' 50' ' ' VAL . 26.0 t -131.47 113.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -124.92 154.9 71.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.75 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.2 p-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -56.0 -35.71 67.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -87.31 12.33 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.39 170.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.23 123.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 17.2 tttt -81.25 104.04 11.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD22 HG12 ' A' ' 122' ' ' VAL . 29.1 mt -80.59 125.5 30.08 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -108.36 120.22 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 122' ' ' VAL . 14.3 t -102.37 135.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.95 33.38 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 27.9 mm100 -134.26 42.12 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.78 114.07 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 162.77 40.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -82.02 115.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.92 -29.78 1.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.6 mt -100.28 163.07 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.01 -175.27 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 77' ' ' VAL . 2.0 mp0 -55.32 -22.52 19.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.2 -24.73 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 4.6 t70 -100.34 -15.76 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 96.6 mt -90.74 -38.54 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 9.1 ttmt -49.33 -46.18 77.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.592 0.711 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -44.84 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.29 -55.19 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.763 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.5 m-85 -57.78 -25.47 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -81.82 0.03 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -83.43 -28.26 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.467 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 93.9 m-85 -99.69 -46.02 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 177.22 40.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.81 147.39 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.763 HD11 ' HB2' ' A' ' 66' ' ' PHE . 23.1 mt -95.48 143.43 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -100.03 -29.79 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -169.31 135.3 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.15 126.71 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 m -139.29 132.66 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' HG3' ' A' ' 59' ' ' GLU . 72.5 t -99.62 127.2 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 91' ' ' PHE . 37.4 mt -76.37 137.69 39.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -137.81 153.79 49.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.57 -179.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -120.73 -47.2 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.9 mt -68.43 -44.42 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.8 p -102.46 -25.77 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.49 24.64 71.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.02 146.92 23.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -57.05 99.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -52.66 -48.8 66.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.448 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 123.16 39.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 1.9 m -156.27 160.43 39.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.7 148.34 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' ' 78' ' ' LEU . 33.8 m-85 -98.4 122.32 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.628 HD22 ' CD1' ' A' ' 66' ' ' PHE . 25.5 tp -108.93 138.42 45.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.3 m -127.86 110.63 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CE2' HD21 ' A' ' 92' ' ' LEU . 9.5 m-85 -85.29 142.22 29.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.1 p -67.34 -26.51 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.88 150.73 39.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.62 -62.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 99' ' ' SER . 3.3 m-20 -45.88 -58.91 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' ASP . 46.3 m -35.26 -45.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -66.81 -53.85 28.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.83 -52.47 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -53.37 -69.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.62 -38.79 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.55 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 t -76.14 -1.58 26.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.467 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -100.18 -19.22 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 mt -116.35 -36.41 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.97 118.72 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 40.53 34.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -129.11 -40.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.523 ' O ' HG22 ' A' ' 120' ' ' ILE . 1.0 OUTLIER -100.5 154.74 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.3 m -128.68 109.81 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.86 155.85 39.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.72 2.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.48 16.88 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 34.9 mmm -124.12 115.69 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -61.11 -34.13 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -99.99 153.85 37.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 176.76 6.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 111' ' ' LYS . 6.6 tt -91.39 135.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.4 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 50.8 mt-30 -111.33 119.79 40.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.734 HG12 HD22 ' A' ' 48' ' ' LEU . 40.2 t -129.69 115.57 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -121.41 148.19 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.701 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 87.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -55.2 -40.66 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -106.2 39.47 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.35 178.26 2.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.4 mt -137.89 148.12 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 6.4 ttmt -107.36 114.49 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.448 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 96.0 mt -89.88 120.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 31.3 t80 -102.27 131.65 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 122' ' ' VAL . 24.3 t -106.09 137.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.05 28.22 4.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.493 ' H ' HG12 ' A' ' 50' ' ' VAL . 5.4 mm-40 -133.31 41.84 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.9 mt -99.96 115.82 65.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 113' ' ' LEU . 54.0 Cg_endo -69.76 -171.29 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -103.18 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.99 -29.14 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.39 156.67 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.09 -175.02 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.605 ' CG ' HG23 ' A' ' 77' ' ' VAL . 16.3 mt-10 -57.31 -20.74 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.8 -16.0 54.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.3 m-20 -103.27 -20.16 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 32.1 mt -89.72 -35.25 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 12.8 tttp -48.22 -46.69 67.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.8 Cg_exo -47.99 -47.68 18.44 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -59.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.527 ' CD1' HD22 ' A' ' 92' ' ' LEU . 29.0 m-85 -56.46 -25.55 51.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 0.07 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -87.0 -20.52 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -102.32 -50.49 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.19 169.32 36.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -71.91 126.88 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 73' ' ' TYR . 22.1 mt -71.6 161.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.557 ' N ' HG22 ' A' ' 72' ' ' ILE . 23.2 t80 -114.95 -41.42 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -163.35 117.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.5 tp -115.34 136.29 53.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 m -149.76 137.24 19.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' CG ' ' A' ' 59' ' ' GLU . 97.1 t -100.53 138.77 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.7 mt -92.57 141.67 28.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 33.8 mttp -138.26 160.01 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.24 179.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -115.34 -54.91 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.7 mt -62.23 -40.57 96.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.6 p -103.9 -43.08 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.55 28.64 38.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 86' ' ' HIS . 25.8 mt -99.21 133.6 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 85' ' ' LEU . 26.0 t-80 -35.75 109.38 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 12.6 mtpp -65.54 -38.65 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 1.8 p -157.39 163.08 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.25 145.97 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.4 m-85 -96.62 113.64 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.527 HD22 ' CD1' ' A' ' 66' ' ' PHE . 12.9 tp -106.24 127.71 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 m -115.12 127.9 55.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -101.16 151.07 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 79.6 m -65.14 -47.31 77.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 11.0 ptt180 -73.65 -40.08 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.661 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -59.59 -57.36 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -40.82 -39.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.36 53.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 98' ' ' ASP . 14.2 mt -53.24 -44.46 68.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.27 -70.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . -48.42 -42.23 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -56.54 -57.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -76.81 -9.84 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 110' ' ' GLN . . . -100.03 -15.07 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 103' ' ' ALA . 60.7 mt -111.29 -43.75 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.433 ' N ' ' OE1' ' A' ' 110' ' ' GLN . 59.2 t60 -50.9 98.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 69.72 33.98 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.46 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 14.8 mp0 -125.02 -44.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 112' ' ' THR . 0.0 OUTLIER -100.3 156.21 17.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 60.6 m -134.2 100.27 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 54' ' ' PRO . 59.7 mt -54.41 154.26 8.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 113.17 3.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.39 13.82 34.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mmm -123.25 97.12 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -43.63 -35.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 153.28 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.9 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.298 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 111' ' ' LYS . 5.6 tt -87.96 145.68 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.466 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 52.7 mt-30 -119.49 119.35 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 50' ' ' VAL . 22.3 t -128.42 134.32 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -144.58 151.13 49.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 85.41 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 45' ' ' ALA . 5.8 p-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -61.18 -32.88 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -93.0 4.94 53.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' OD2' ' A' ' 42' ' ' ASP . . . -43.97 162.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mt -133.84 148.98 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' ' CD1' ' A' ' 91' ' ' PHE . 17.6 tttt -105.18 103.28 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD22 HG12 ' A' ' 122' ' ' VAL . 57.5 mt -80.3 138.38 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 53.8 t80 -119.03 137.5 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 122' ' ' VAL . 73.7 t -113.31 133.29 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -125.3 29.03 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' O ' HD12 ' A' ' 113' ' ' LEU . 1.3 mp0 -130.97 43.87 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 89' ' ' CYS . 29.9 mt -106.55 114.15 62.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.733 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.67 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.19 121.49 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.49 -27.81 3.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.52 HD13 ' OD2' ' A' ' 61' ' ' ASP . 53.7 mt -100.55 157.7 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.13 -175.27 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.618 ' CG ' HG23 ' A' ' 77' ' ' VAL . 32.3 mt-10 -56.41 -19.04 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.57 -20.56 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.52 ' OD2' HD13 ' A' ' 57' ' ' LEU . 26.3 t70 -103.03 -14.68 16.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 79.5 mt -93.24 -30.94 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.636 ' HG3' HD12 ' A' ' 72' ' ' ILE . 15.5 ttmt -55.39 -45.19 99.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -48.0 -54.8 4.7 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.307 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.89 -50.55 70.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.966 ' HB2' HD11 ' A' ' 72' ' ' ILE . 22.1 m-85 -61.43 -26.13 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -83.25 -2.68 56.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.31 -22.06 30.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -102.47 -39.4 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.47 173.81 45.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -74.76 128.03 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.317 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.966 HD11 ' HB2' ' A' ' 66' ' ' PHE . 94.8 mt -74.6 152.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.419 ' N ' HG22 ' A' ' 72' ' ' ILE . 10.3 t80 -106.41 -42.88 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -158.83 118.28 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 tp -118.96 126.51 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -142.65 130.16 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.618 HG23 ' CG ' ' A' ' 59' ' ' GLU . 97.7 t -94.01 135.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.641 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -82.57 140.55 33.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -139.64 154.14 47.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.65 175.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -109.51 -41.48 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.45 -40.36 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -100.69 -28.34 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.45 17.88 62.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.3 mt -87.74 172.33 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -70.32 104.39 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -59.01 -47.85 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.61 42.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.2 p -170.22 162.54 8.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.33 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.28 144.35 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.641 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.7 m-85 -94.0 116.52 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 66' ' ' PHE . 13.0 tp -108.09 131.17 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.6 m -121.88 125.9 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 11.7 m-85 -94.16 162.7 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.9 p -80.44 -31.72 37.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.96 164.6 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -76.34 -29.05 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 6.3 t0 -71.33 -55.91 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -42.8 -38.16 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -71.51 -56.93 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.8 mt -47.21 -50.59 20.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 106' ' ' ALA . 23.0 mtpt -59.21 -68.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.64 -30.46 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -70.03 -61.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -76.31 -2.71 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.02 -24.89 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.6 mt -109.5 -39.52 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -49.0 104.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 59.96 36.69 21.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -127.33 -43.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -99.57 158.5 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.5 m -134.9 103.62 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 52' ' ' GLN . 59.2 mt -58.57 155.54 28.5 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.23 . . . . 0.0 112.368 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.41 3.63 58.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -116.13 107.92 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -56.76 -32.09 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 152.66 38.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -91.56 129.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -105.92 119.72 39.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 50' ' ' VAL . 41.5 t -131.08 120.83 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.494 ' N ' ' HE2' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -132.62 154.96 81.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.72 84.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.7 p -120.18 158.48 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.3 m 45.24 47.99 10.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.27 -107.44 1.65 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 m 55.56 41.37 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 t -108.45 -56.13 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.8 -137.75 2.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.6 m -73.94 142.19 79.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 159.59 52.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 48.8 mtt -123.64 133.1 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 8.0 ptmm? -111.06 -175.6 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.33 149.53 21.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -62.38 -30.53 71.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.55 31.38 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.93 177.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.568 HD11 ' HD2' ' A' ' 97' ' ' ARG . 32.2 mt -143.03 130.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HE2' ' CG ' ' A' ' 91' ' ' PHE . 36.9 tttt -92.3 103.58 16.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD22 HG12 ' A' ' 122' ' ' VAL . 51.9 mt -79.38 148.61 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -125.8 130.49 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 122' ' ' VAL . 88.9 t -107.75 133.91 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.04 32.62 4.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.531 ' H ' HG12 ' A' ' 50' ' ' VAL . 32.7 tp60 -134.05 40.07 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 89' ' ' CYS . 37.4 mt -100.11 113.7 65.38 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -167.53 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 131.12 54.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.47 -16.18 9.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -103.21 177.25 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -153.35 -179.71 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.58 ' CG ' HG23 ' A' ' 77' ' ' VAL . 42.4 mt-10 -56.1 -21.85 24.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.26 -20.08 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.98 -13.29 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 68.0 mt -98.03 -28.9 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.0 mttp -56.22 -45.51 99.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.98 -50.08 12.57 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.94 -50.99 44.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.811 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.8 m-85 -60.91 -24.36 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -80.84 -2.49 47.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -82.58 -13.63 56.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 91.1 m-85 -108.13 -32.1 7.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.83 -171.46 44.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.13 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.811 HD11 ' HB2' ' A' ' 66' ' ' PHE . 71.3 mt -80.04 152.75 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 45.9 t80 -105.64 -37.71 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -161.7 138.09 8.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.56 110.35 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -122.46 136.37 54.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.58 HG23 ' CG ' ' A' ' 59' ' ' GLU . 98.9 t -97.65 134.83 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 mt -86.33 123.46 31.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -130.78 144.99 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 6.1 m-20 -52.57 179.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.1 tmt_? -118.92 -62.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.9 -41.71 58.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.7 p -105.19 -40.06 5.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.28 15.09 72.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.9 mt -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -38.92 110.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CD ' ' OD1' ' A' ' 80' ' ' ASP . 2.7 mtmp? -60.37 -43.01 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.41 36.7 0.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.47 ' C ' HD12 ' A' ' 53' ' ' ILE . 2.9 p -161.91 161.82 28.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.38 156.79 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CG ' ' HE2' ' A' ' 47' ' ' LYS . 37.3 m-85 -103.65 123.17 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 66' ' ' PHE . 9.5 tp -113.37 131.54 55.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.8 m -121.08 140.02 52.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.456 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 9.5 m-85 -110.15 141.25 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.4 -27.71 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.81 157.25 26.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.568 ' HD2' HD11 ' A' ' 46' ' ' ILE . 5.0 tpp85 -67.19 -59.29 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.68 ' HA ' HD12 ' A' ' 101' ' ' LEU . 53.4 m-20 -46.46 -54.36 9.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 74.7 m -35.72 -46.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.02 62.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 98' ' ' ASP . 29.9 mt -50.27 -51.64 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ALA . 27.1 mtpp -62.44 -68.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.02 -31.87 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.63 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 t -75.63 -2.57 29.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.521 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.91 -23.67 14.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.28 -39.22 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -48.63 107.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 58.46 40.54 23.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -129.03 -45.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.02 159.95 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.8 m -134.25 94.2 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 52' ' ' GLN . 66.3 mt -51.81 155.13 3.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.93 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.32 2.49 47.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.4 mmt -116.82 105.52 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -51.84 -35.11 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -100.05 160.05 28.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 177.18 5.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -87.13 131.78 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -102.7 120.25 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 50' ' ' VAL . 25.6 t -131.6 120.53 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -130.53 155.4 81.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 126' ' ' ALA . 53.0 Cg_endo -69.83 84.39 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -48.03 91.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 124' ' ' PRO . . . -174.07 155.05 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 126' ' ' ALA . 4.6 m 34.87 50.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.6 -44.52 90.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -39.64 -62.05 1.46 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -113.23 115.75 28.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -133.44 114.16 1.33 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -96.71 132.64 42.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -162.99 153.66 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -156.69 146.55 14.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.98 19.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -157.9 137.3 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.6 t -67.84 175.28 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.0 p -109.73 119.04 38.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 m -85.58 82.49 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.21 -60.09 0.4 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 t 50.26 41.98 24.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 t -92.59 139.67 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.94 172.44 14.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -95.84 143.56 26.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 140.73 43.21 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.3 mtt -116.24 143.75 45.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 pttt -126.19 -175.05 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -104.66 141.37 36.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -55.92 -31.65 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -111.64 39.28 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.37 179.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.6 mt -139.74 131.64 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -94.13 109.78 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.432 HD22 HG12 ' A' ' 122' ' ' VAL . 72.7 mt -82.65 140.35 33.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -119.42 126.04 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 52' ' ' GLN . 24.5 t -106.65 136.0 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.01 30.95 4.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.52 ' H ' HG12 ' A' ' 50' ' ' VAL . 8.1 tp-100 -133.29 40.7 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.504 HD12 ' C ' ' A' ' 89' ' ' CYS . 32.2 mt -102.78 112.45 65.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.99 6.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.348 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -94.92 118.01 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.81 -26.69 2.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.796 HD13 ' OD2' ' A' ' 61' ' ' ASP . 77.0 mt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.76 -175.24 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HG3' HG23 ' A' ' 77' ' ' VAL . 2.0 mp0 -57.14 -21.79 35.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.94 -20.0 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.796 ' OD2' HD13 ' A' ' 57' ' ' LEU . 26.5 t70 -100.15 -26.3 13.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 26.3 mt -91.95 -26.71 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.769 ' HG2' HD23 ' A' ' 75' ' ' LEU . 7.5 mmtp -55.17 -45.77 99.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.926 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.6 Cg_exo -47.95 -55.24 4.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.56 HD22 ' NZ ' ' A' ' 111' ' ' LYS . 83.1 mt -60.61 -51.51 69.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.0 m-85 -58.33 -25.16 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HG3' HD12 ' A' ' 72' ' ' ILE . 11.5 mt-10 -86.03 -3.39 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.41 -22.16 41.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 98.2 m-85 -100.55 -35.25 9.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.53 167.86 39.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -64.69 131.65 47.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 66' ' ' PHE . 23.0 mt -85.98 150.73 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 17.2 t80 -100.04 -37.3 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -170.48 137.45 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.769 HD23 ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp -130.26 119.17 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.2 m -133.66 123.07 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.781 HG11 ' NE2' ' A' ' 86' ' ' HIS . 91.2 t -86.98 133.02 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.026 HD11 ' CE2' ' A' ' 91' ' ' PHE . 23.9 mt -79.33 140.38 37.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -136.11 167.89 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -176.99 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -119.24 -49.83 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.4 -42.2 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.2 p -105.02 -14.24 15.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 54.01 24.73 28.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.26 168.27 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.781 ' NE2' HG11 ' A' ' 77' ' ' VAL . 20.5 t-80 -70.33 109.06 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -60.91 -51.2 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.05 42.57 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.504 ' C ' HD12 ' A' ' 53' ' ' ILE . 7.8 p -170.41 164.38 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -153.98 155.28 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 1.026 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.2 m-85 -105.59 111.77 24.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.631 HD22 ' CD1' ' A' ' 66' ' ' PHE . 14.7 tp -99.97 133.66 44.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 m -121.68 127.23 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.482 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 15.0 m-85 -102.27 147.43 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 p -62.21 -34.67 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.62 -177.67 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -32.44 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.5 ' HA ' HD12 ' A' ' 101' ' ' LEU . 21.0 m-20 -66.68 -49.93 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m -48.88 -42.91 38.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -64.59 -56.63 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 98' ' ' ASP . 27.0 mt -44.19 -49.5 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -59.69 -69.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.66 -29.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.17 -54.03 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 t -79.75 -7.08 58.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.4 -20.19 16.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' A' ' 111' ' ' LYS . 86.1 mt -109.09 -48.97 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -42.25 108.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 54.8 41.1 32.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -131.49 -44.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.56 ' NZ ' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -100.07 174.44 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.2 m -152.4 108.88 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.83 157.8 78.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.85 4.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.09 26.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.9 mmt -106.4 117.15 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -91.34 158.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.8 tt -88.53 127.09 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.67 121.5 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 50' ' ' VAL . 17.3 t -132.48 124.48 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -136.05 152.37 75.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.48 140.22 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.58 114.1 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.3 p -52.81 -46.51 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.13 143.9 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 46.12 -162.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -140.96 178.52 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.65 83.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -131.76 136.6 47.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -122.56 149.96 43.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -145.14 84.29 0.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.67 54.72 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.5 m -152.43 177.47 10.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.9 p -127.35 -43.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.0 t -171.86 155.32 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.2 m -152.38 176.72 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.51 47.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' SER . 52.0 m -134.56 137.77 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' SER . 33.8 t -35.76 103.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.59 168.72 26.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.7 m -129.95 144.35 52.74 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.601 0.715 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 120.4 7.19 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.28 140.46 46.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -104.86 -175.0 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.9 148.35 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -55.85 -40.36 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -107.77 35.96 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.7 172.89 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.2 mt -135.64 148.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -105.21 105.74 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -79.96 137.59 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 89' ' ' CYS . 11.6 t80 -118.54 126.69 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.894 HG22 HG22 ' A' ' 122' ' ' VAL . 60.6 t -105.61 133.22 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.74 32.36 4.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' H ' HG12 ' A' ' 50' ' ' VAL . 35.6 tp60 -133.54 40.84 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 mt -106.3 113.5 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -165.6 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -104.06 136.66 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.85 -24.32 9.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 mt -101.66 156.9 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -134.25 -177.55 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB3' HD23 ' A' ' 75' ' ' LEU . 36.9 mp0 -53.06 -28.43 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.72 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.49 -15.17 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.97 -27.32 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 22.5 ttmt -54.92 -45.21 99.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.92 -55.17 4.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.63 -50.69 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' A' ' 92' ' ' LEU . 23.5 m-85 -62.3 -24.51 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -83.25 -0.06 47.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.22 -17.44 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 87.9 m-85 -103.93 -41.71 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.19 -174.94 39.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -81.12 130.69 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 73' ' ' TYR . 21.6 mt -77.4 160.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 24.5 t80 -115.71 -37.97 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -163.99 117.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' A' ' 59' ' ' GLU . 20.1 tp -116.75 119.14 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -134.68 136.4 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.3 t -97.09 137.16 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.61 HD11 ' CE2' ' A' ' 91' ' ' PHE . 26.9 mt -89.83 130.94 36.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -138.27 155.47 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -53.43 177.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.538 ' CG ' HD12 ' A' ' 82' ' ' LEU . 19.1 ptt-85 -116.09 -43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.538 HD12 ' CG ' ' A' ' 81' ' ' ARG . 5.3 mp -68.63 -43.72 75.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.1 p -102.13 -45.13 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.8 27.59 34.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.49 135.61 38.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.19 100.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -58.99 -44.15 91.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 125.7 42.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 1.6 p -166.75 159.3 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.32 147.04 24.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.0 m-85 -97.3 110.91 23.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 66' ' ' PHE . 14.7 tp -100.08 134.56 42.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 m -123.95 125.29 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.48 ' CE2' HD21 ' A' ' 92' ' ' LEU . 14.0 m-85 -99.06 154.99 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.3 -46.82 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.08 175.55 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -84.67 -42.77 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.825 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.8 t0 -57.43 -57.75 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' ASP . 12.9 m -37.66 -45.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.35 86.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.1 mt -57.27 -48.39 79.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -58.76 -67.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . . . -51.89 -39.03 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -57.77 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -77.28 -7.42 55.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -96.94 -17.83 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 mt -113.53 -39.34 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -50.54 107.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 59.06 38.94 23.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -128.89 -44.51 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -100.02 154.52 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 112' ' ' THR . 22.1 m -134.82 91.76 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 39.9 mt -46.79 155.43 0.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 112.02 2.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.18 0.85 33.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -115.85 105.52 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.23 -32.22 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -100.0 154.36 37.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.56 5.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -87.69 127.34 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.79 119.74 39.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.894 HG22 HG22 ' A' ' 50' ' ' VAL . 43.9 t -130.07 120.98 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -131.19 153.2 81.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.76 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.732 2.288 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -34.73 130.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -110.68 86.11 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 78.1 p -63.33 -53.02 59.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -161.47 115.98 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -127.06 -53.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -63.42 -57.57 9.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.87 125.74 10.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -163.37 130.66 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 m -38.33 134.66 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -91.33 -149.96 24.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.421 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 109.51 2.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t -70.42 -58.44 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.5 p 42.49 41.4 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.2 p -46.7 -44.14 18.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.2 m -68.47 163.05 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.41 39.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.4 p -65.98 164.15 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -159.61 172.61 17.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.08 -103.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.97 144.36 39.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 126.4 13.33 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.376 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.5 mtp -129.47 125.46 36.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -109.16 -177.66 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -105.48 166.4 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -71.46 -34.8 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.91 36.62 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.82 178.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.18 149.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 20.5 tttt -109.72 107.11 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.752 HD22 HG12 ' A' ' 122' ' ' VAL . 31.2 mt -78.78 143.52 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -124.56 120.4 31.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.873 HG22 HG22 ' A' ' 122' ' ' VAL . 48.8 t -101.74 133.33 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -124.98 28.54 5.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 113' ' ' LEU . 1.3 mp0 -130.64 43.82 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mt -105.18 112.33 65.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD2' HD13 ' A' ' 113' ' ' LEU . 54.1 Cg_endo -69.79 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.635 2.224 . . . . 0.0 112.356 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -105.23 117.11 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.67 2.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 mt -100.76 158.42 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.76 -179.35 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 77' ' ' VAL . 20.4 mt-10 -54.13 -20.03 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -78.03 -25.61 47.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 -9.61 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 70.7 mt -96.09 -31.0 13.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 26.2 mtpt -52.46 -45.71 95.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -54.45 5.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.65 -54.53 38.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.883 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.5 m-85 -60.07 -23.38 63.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.24 -0.88 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -85.99 -15.68 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.461 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 81.2 m-85 -110.16 -57.55 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -145.54 -179.34 21.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -81.73 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.883 HD11 ' HB2' ' A' ' 66' ' ' PHE . 95.4 mt -82.0 137.53 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 3.6 t80 -100.03 -34.29 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -165.07 127.76 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tp -128.98 119.86 25.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -136.9 139.29 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 90' ' ' ALA . 18.5 t -100.6 149.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.5 mt -98.32 129.31 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -120.48 179.15 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -179.25 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -108.49 -25.59 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.23 -42.68 8.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -107.81 -19.8 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.424 ' C ' ' HB3' ' A' ' 79' ' ' LYS . . . 55.67 33.54 59.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.425 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 86' ' ' HIS . 47.6 mt -94.93 135.03 36.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.484 ' CD2' HG11 ' A' ' 77' ' ' VAL . 14.7 t-80 -34.85 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.64 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.84 43.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.7 163.52 12.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -158.62 147.78 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CE2' HD11 ' A' ' 78' ' ' LEU . 18.9 m-85 -98.12 115.96 29.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.556 HD22 ' CD1' ' A' ' 66' ' ' PHE . 20.2 tp -102.98 133.36 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -122.89 118.21 27.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -93.89 149.57 21.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 81.5 m -63.87 -40.81 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.11 177.85 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -89.54 -41.33 12.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.63 ' HA ' HD12 ' A' ' 101' ' ' LEU . 5.9 t0 -61.67 -53.38 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.9 m -40.65 -35.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.07 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 98' ' ' ASP . 16.8 mt -45.75 -46.42 15.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -63.55 -69.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.33 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -71.1 -52.61 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.9 t -79.72 -6.29 56.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.461 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -98.14 -25.63 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.69 -46.15 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -45.69 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.81 39.47 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -130.78 -44.31 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -97.0 157.03 16.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.0 m -134.75 94.62 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 52' ' ' GLN . 41.5 mt -55.58 156.87 8.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.36 9.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 98.85 -6.59 60.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -109.48 107.42 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -53.3 -34.24 56.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -98.59 161.22 25.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -102.86 133.1 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.78 119.65 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.873 HG22 HG22 ' A' ' 50' ' ' VAL . 28.5 t -131.5 116.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.409 ' NZ ' ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -128.78 153.88 79.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.71 88.15 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.8 -51.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -37.59 -71.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 83.5 p -87.04 169.2 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -117.25 101.38 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 60.99 13.03 32.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.67 132.48 55.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 150.81 160.03 9.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -113.57 -178.91 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 85.9 p -166.57 156.88 12.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.63 63.74 4.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -44.42 2.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.8 t -149.5 149.53 30.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.1 m -56.47 149.65 16.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.1 p -69.58 160.22 31.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.3 m -156.58 134.59 11.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -128.98 -85.75 0.45 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t 60.69 42.4 13.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.822 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 m -91.06 103.39 16.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.02 -159.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.85 147.99 37.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.616 0.722 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 135.35 30.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mmt -120.99 128.9 53.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 43.1 pttt -118.1 -176.55 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -102.01 157.41 16.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.457 ' CD2' ' H ' ' A' ' 43' ' ' HIS . 7.9 p80 -64.61 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.75 37.61 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.95 179.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.7 mt -139.72 136.47 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -99.93 108.0 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 104' ' ' GLN . 76.8 mt -77.83 139.39 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -117.79 121.62 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.056 HG22 HG22 ' A' ' 122' ' ' VAL . 60.8 t -102.34 136.93 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.02 33.4 2.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 77.1 mm-40 -133.52 41.65 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 mt -110.15 115.0 55.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -173.37 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -99.99 117.33 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.11 -31.51 1.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' ' 61' ' ' ASP . 35.8 mt -100.61 173.92 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -146.69 -175.05 4.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.65 -20.82 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -74.86 -12.96 60.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' ' 57' ' ' LEU . 13.6 t0 -110.17 -15.96 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 65.2 mt -92.53 -35.35 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 mtpm? -50.43 -45.83 84.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.0 Cg_exo -47.94 -55.5 3.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.626 2.218 . . . . 0.0 112.376 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.94 -50.97 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.725 ' HB2' HD11 ' A' ' 72' ' ' ILE . 26.5 m-85 -61.57 -24.64 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.37 -2.74 50.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.65 -23.26 42.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 90.9 m-85 -100.17 -44.03 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.39 161.61 33.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -54.89 141.12 34.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 66' ' ' PHE . 44.9 mt -91.7 153.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 28.9 t80 -101.35 -37.45 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -173.86 136.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 tp -131.38 125.65 33.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -135.36 139.04 43.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 90' ' ' ALA . 86.6 t -102.06 127.12 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.508 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -75.45 131.63 40.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -134.1 161.98 33.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.88 178.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -115.39 -38.65 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.8 -34.24 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.2 p -107.8 -36.14 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.18 27.55 68.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.2 mt -97.31 172.81 7.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.31 109.75 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -62.91 -50.36 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.81 42.42 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 5.9 p -173.05 162.46 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -152.84 143.93 23.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.1 m-85 -92.79 111.81 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.74 HD21 ' CE2' ' A' ' 94' ' ' TYR . 17.5 tp -101.71 136.39 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -127.74 115.21 18.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.74 ' CE2' HD21 ' A' ' 92' ' ' LEU . 14.8 m-85 -87.94 152.25 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -67.3 -41.88 84.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.74 162.39 16.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -70.3 -47.15 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 101' ' ' LEU . 2.0 m-20 -51.39 -60.16 3.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.1 m -42.48 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.55 -52.12 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 98' ' ' ASP . 16.9 mt -52.3 -49.16 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 106' ' ' ALA . 37.0 mtpt -60.04 -67.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.79 -40.58 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.405 ' HB2' HD21 ' A' ' 48' ' ' LEU . 8.4 tt0 -61.09 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -73.93 -3.54 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -97.01 -29.08 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.7 mt -104.24 -40.27 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -46.94 111.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 54.66 40.99 32.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.418 ' CD ' ' O ' ' A' ' 106' ' ' ALA . 3.5 tt0 -130.34 -44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -98.18 174.85 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.5 m -155.81 106.46 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.58 155.31 50.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 105.52 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 110.52 18.97 8.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 14.7 mmm -128.31 113.97 16.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -59.11 -36.09 74.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -99.25 153.14 37.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.73 2.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.462 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.8 tt -88.02 131.57 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -108.74 119.74 40.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 1.056 HG22 HG22 ' A' ' 50' ' ' VAL . 40.9 t -132.05 118.68 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -127.6 150.16 72.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.77 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -37.12 132.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -117.49 155.26 30.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.2 p -100.1 -51.24 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.55 -43.88 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 107.22 58.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -108.34 162.76 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -96.54 -146.66 21.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -168.07 148.02 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.0 t -168.21 110.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -152.81 86.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 137.42 35.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.268 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.3 t -122.58 134.97 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.8 m -73.43 108.83 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 p -118.06 -53.76 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.7 m -72.28 134.17 45.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.31 -62.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.534 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -92.26 120.68 33.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.4 p -97.15 176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.55 -167.02 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -59.16 142.66 85.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.26 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.8 ptm -111.83 127.05 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 3.7 ptmm? -104.47 -177.28 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 1.3 m-20 -96.53 137.41 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 44' ' ' ASP . 17.0 p80 -49.47 -35.81 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 8.6 p-10 -111.15 31.45 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 42' ' ' ASP . . . -67.55 177.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 47' ' ' LYS . 33.7 mt -134.45 161.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.535 ' N ' HG22 ' A' ' 46' ' ' ILE . 25.7 tttt -115.38 108.46 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.16 140.09 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -124.73 126.21 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 122' ' ' VAL . 15.6 t -103.31 139.13 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.85 29.91 3.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.504 ' H ' HG12 ' A' ' 50' ' ' VAL . 15.7 tp60 -132.78 40.41 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 90' ' ' ALA . 34.6 mt -102.02 113.72 65.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 ptt-85 -108.37 136.63 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.71 14.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.573 HD22 ' OD2' ' A' ' 61' ' ' ASP . 79.5 mt -100.97 169.18 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.937 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -143.76 179.31 7.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.666 ' HG3' HG23 ' A' ' 77' ' ' VAL . 26.5 mt-10 -56.73 -20.7 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -76.56 -22.93 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.573 ' OD2' HD22 ' A' ' 57' ' ' LEU . 17.8 t70 -92.25 -17.03 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 67.7 mt -95.26 -30.04 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.3 mtpt -55.71 -45.57 99.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.8 Cg_exo -47.97 -48.02 17.48 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.74 -53.92 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' HD22 ' A' ' 92' ' ' LEU . 21.9 m-85 -58.64 -24.82 61.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.78 -1.27 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -87.13 -18.52 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 103' ' ' ALA . 78.7 m-85 -100.52 -47.19 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.92 -170.48 32.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -83.64 122.11 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 66' ' ' PHE . 26.7 mt -70.54 142.93 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 46.3 t80 -101.08 -34.05 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -162.33 133.35 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.572 HD23 ' HG3' ' A' ' 63' ' ' LYS . 12.0 tp -138.54 120.03 14.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.5 m -140.15 139.16 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.666 HG23 ' HG3' ' A' ' 59' ' ' GLU . 96.1 t -94.79 132.4 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 91' ' ' PHE . 15.9 mt -79.4 122.89 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -126.44 165.45 19.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.77 178.01 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.6 mmm180 -114.31 -51.45 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mp -72.85 -38.08 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.4 p -102.6 -31.78 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.25 25.0 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' HIS . 86.7 mt -96.98 128.55 44.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.492 ' NE2' HG11 ' A' ' 77' ' ' VAL . 38.7 t-80 -35.32 105.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -59.07 -46.75 87.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.04 42.3 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 p -166.87 167.45 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' ILE . . . -158.94 151.1 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.51 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.4 m-85 -101.16 113.72 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.575 HD22 ' CE1' ' A' ' 66' ' ' PHE . 25.7 tp -106.36 134.74 49.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 m -124.36 140.58 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.1 m-85 -111.62 140.76 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.8 p -58.95 -42.3 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.19 149.4 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -57.41 -59.88 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.627 ' HA ' HD12 ' A' ' 101' ' ' LEU . 5.8 t70 -41.43 -61.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.4 m -39.17 -40.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.87 -47.07 69.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.7 mt -57.5 -47.01 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 5.9 mtpm? -59.35 -68.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB2' ' CG ' ' A' ' 69' ' ' PHE . . . -51.27 -31.0 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -69.25 -60.82 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 t -78.34 -4.99 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.22 -18.01 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 69' ' ' PHE . 90.5 mt -113.15 -44.63 3.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.55 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 75.7 t60 -44.64 108.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 56.61 40.86 29.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 2.9 mp0 -129.21 -45.23 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -100.0 179.44 4.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 17.7 m -154.04 108.87 3.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.48 156.94 87.39 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.16 5.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 109.66 -14.99 32.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.8 mmt -104.8 125.44 50.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.97 -33.46 73.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.65 161.29 26.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.66 4.36 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.456 HG12 HG23 ' A' ' 122' ' ' VAL . 1.7 tt -87.13 134.17 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -105.92 120.94 43.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 50' ' ' VAL . 23.4 t -134.64 115.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -130.35 155.05 81.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' LYS . . . -46.8 127.39 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -129.11 77.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.9 m -127.49 126.33 42.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -115.01 -42.47 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.81 92.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -157.8 106.17 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -43.93 -92.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.91 140.68 31.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.4 t -148.83 138.61 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.62 84.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 162.72 41.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.7 m -68.93 154.06 42.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.8 t 63.7 39.72 8.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.551 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.6 p -75.57 142.92 42.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.821 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -99.59 -57.55 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.04 93.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 t -95.12 108.86 20.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.8 p -72.5 112.76 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.96 153.04 6.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 39' ' ' PRO . 6.3 t -124.93 136.46 28.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 38' ' ' VAL . 54.0 Cg_endo -69.79 136.06 31.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.3 mmt -125.35 144.77 50.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.2 ptmt -110.56 -174.94 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -112.72 146.91 37.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -58.82 -38.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -109.19 36.34 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.44 174.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.7 mt -141.99 135.04 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -94.1 123.57 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.82 HD22 HG12 ' A' ' 122' ' ' VAL . 34.8 mt -93.47 122.04 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -105.02 126.73 52.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 122' ' ' VAL . 21.8 t -106.04 132.36 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.59 36.27 2.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.548 ' O ' HD12 ' A' ' 113' ' ' LEU . 75.6 mm-40 -134.59 41.19 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.412 HD13 HD11 ' A' ' 62' ' ' LEU . 40.5 mt -107.63 116.75 57.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.8 Cg_endo -69.75 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -109.24 118.79 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.23 -27.56 2.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.3 mt -99.93 171.12 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -142.7 -174.99 4.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' CD ' ' CG2' ' A' ' 77' ' ' VAL . 6.2 mm-40 -58.67 -20.07 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -68.81 -19.55 64.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 t70 -99.2 -21.5 16.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 57.7 mt -90.45 -37.93 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mmmp? -47.48 -46.98 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.526 0.679 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.0 Cg_exo -48.01 -55.04 4.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD21 ' HE3' ' A' ' 111' ' ' LYS . 27.8 mt -62.97 -50.36 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.791 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.0 m-85 -59.61 -25.37 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.42 -0.16 55.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -88.18 -20.84 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.06 -42.53 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.52 175.01 46.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.13 135.5 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.791 HD11 ' HB2' ' A' ' 66' ' ' PHE . 43.9 mt -87.9 156.39 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 16.3 t80 -108.45 -49.96 3.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -145.11 138.82 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' HG ' ' CD ' ' A' ' 59' ' ' GLU . 28.4 tp -142.68 121.33 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -144.5 130.89 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG2' ' CD ' ' A' ' 59' ' ' GLU . 26.0 t -84.55 136.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD11 ' CE2' ' A' ' 91' ' ' PHE . 14.3 mt -90.32 128.28 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -126.52 177.56 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.12 169.12 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -108.39 -45.16 3.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.21 -37.63 57.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.7 p -100.05 -46.09 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.7 17.56 59.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 mt -89.96 149.17 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -54.8 100.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -55.52 -48.06 75.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.2 40.5 0.44 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 3.3 m -156.81 161.5 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.05 141.27 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CE2' HD11 ' A' ' 78' ' ' LEU . 7.2 m-85 -95.07 113.64 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.512 HD22 ' CD1' ' A' ' 66' ' ' PHE . 19.4 tp -109.07 138.59 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -129.0 122.37 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.73 139.76 31.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.6 m -55.22 -48.39 73.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.84 161.7 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.8 ptm180 -77.56 -41.06 40.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 1.1 m-20 -56.73 -53.01 62.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 m -48.73 -35.46 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -52.74 28.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.6 mt -47.84 -53.46 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 106' ' ' ALA . 41.7 mttm -55.29 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.45 -30.39 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.77 -63.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -76.41 -2.69 33.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -96.32 -26.92 15.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.3 mt -108.07 -39.51 5.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -48.34 110.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 55.44 41.7 30.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -130.39 -45.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.535 ' HE3' HD21 ' A' ' 65' ' ' LEU . 4.6 tptp -99.25 158.74 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 m -134.8 92.88 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 52' ' ' GLN . 48.8 mt -42.38 155.81 0.25 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.07 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.8 -0.36 39.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 39.5 mmm -106.97 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -52.79 -34.32 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.79 155.52 36.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -171.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.4 tt -95.91 136.19 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.73 119.66 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 50' ' ' VAL . 47.7 t -132.11 115.55 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -124.2 150.5 63.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.698 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.8 Cg_endo -69.8 80.57 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -35.24 -52.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -89.96 97.25 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 t -113.45 -48.1 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.58 163.09 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.12 -142.69 13.71 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -57.59 144.04 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 171.72 -66.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.84 161.84 30.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 39.6 m 52.66 36.63 21.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.19 -155.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.19 35.75 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.0 t -59.92 105.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.0 m -99.96 128.34 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t 40.51 42.29 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -56.4 170.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.32 133.85 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -74.18 121.62 21.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.3 p -82.06 -47.43 12.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.91 -118.21 0.58 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.67 143.63 95.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 114.32 3.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.727 2.285 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.0 mtp -93.98 133.68 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -133.79 -174.84 3.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.8 146.68 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 97' ' ' ARG . 18.8 p-10 -114.14 36.8 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.1 mt -142.71 135.29 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 49.4 tttp -98.08 102.61 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 HG12 ' A' ' 122' ' ' VAL . 54.8 mt -76.93 148.84 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -128.14 126.85 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 122' ' ' VAL . 92.2 t -107.91 128.66 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.51 34.12 3.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 80.4 mm-40 -134.34 41.19 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.548 HD13 HD11 ' A' ' 62' ' ' LEU . 33.0 mt -107.38 113.94 61.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.92 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.27 133.91 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.01 -26.61 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.758 HD22 ' OD2' ' A' ' 61' ' ' ASP . 48.6 mt -99.97 162.43 12.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -136.27 -175.37 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.601 ' CG ' HG23 ' A' ' 77' ' ' VAL . 22.4 mt-10 -58.16 -18.31 24.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -80.81 -16.22 54.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.758 ' OD2' HD22 ' A' ' 57' ' ' LEU . 8.1 t70 -96.98 -23.18 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 HD13 ' A' ' 53' ' ' ILE . 79.0 mt -92.1 -25.54 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.3 tttt -55.1 -45.34 99.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.5 Cg_exo -47.94 -55.63 3.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.93 -52.85 63.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.835 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.9 m-85 -58.06 -26.27 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.49 -4.39 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -79.98 -21.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 88.3 m-85 -105.01 -45.79 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 171.63 40.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -69.72 134.08 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.835 HD11 ' HB2' ' A' ' 66' ' ' PHE . 42.7 mt -82.25 144.95 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 3.7 t80 -100.0 -30.95 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -172.05 137.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 tp -133.42 121.3 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -129.26 137.35 51.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' CG ' ' A' ' 59' ' ' GLU . 96.6 t -102.14 136.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -85.59 128.26 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -136.43 149.71 48.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.35 170.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -111.68 -40.01 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.47 -35.71 53.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.2 p -100.96 -33.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.77 21.03 79.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.6 164.38 13.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' NE2' HG11 ' A' ' 77' ' ' VAL . 6.3 t-80 -72.78 99.88 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -51.28 -50.77 58.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.93 40.22 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -155.01 163.6 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.07 138.01 6.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.531 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 45.3 m-85 -92.77 119.89 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.752 HD22 ' CD1' ' A' ' 66' ' ' PHE . 34.2 tp -103.79 135.96 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.8 m -127.33 118.24 23.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.455 ' CE2' HD21 ' A' ' 92' ' ' LEU . 20.5 m-85 -94.84 144.79 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.13 -38.66 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.7 176.26 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -89.85 -34.26 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 11.3 t0 -61.69 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.5 m -40.49 -37.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 104' ' ' GLN . . . -67.87 -50.69 54.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.4 mt -57.62 -47.0 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 24.2 mtmt -60.71 -68.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -36.7 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 100' ' ' ALA . 4.4 tt0 -61.43 -64.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.6 m -74.24 -4.78 38.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.33 -22.1 16.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.5 mt -108.59 -40.44 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -49.79 108.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 56.97 40.25 28.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -128.08 -45.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -100.16 159.42 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 55.1 m -134.13 96.77 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.3 mt -53.32 156.41 4.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.48 0.78 62.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -114.13 108.73 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -56.62 -32.35 65.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.45 ' NE ' ' HD2' ' A' ' 119' ' ' PRO . 15.4 mmm180 -99.92 156.28 35.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HD2' ' NE ' ' A' ' 118' ' ' ARG . 53.8 Cg_endo -69.74 -176.63 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 5.0 tt -90.65 138.58 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 mp0 -111.49 119.59 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 50' ' ' VAL . 42.2 t -131.53 125.78 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -137.43 154.42 75.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.72 84.0 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.28 . . . . 0.0 112.38 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -34.05 -49.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.29 107.36 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -107.1 170.93 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -164.25 112.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -145.1 161.42 28.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -96.36 145.18 25.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -137.34 131.05 5.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 56.43 41.47 28.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 77.2 p -106.55 80.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.39 -179.54 39.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.88 48.06 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.742 2.295 . . . . 0.0 112.365 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.7 t -77.78 165.41 24.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.9 t -63.85 100.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.8 m -114.15 113.66 24.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 t -117.59 93.49 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.25 -147.76 23.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 t -71.77 -50.11 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 t -69.23 100.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.75 -49.9 5.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' CG1' ' HD2' ' A' ' 39' ' ' PRO . 2.7 t -37.79 134.92 0.8 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.57 0.7 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HD2' ' CG1' ' A' ' 38' ' ' VAL . 53.4 Cg_endo -69.82 98.96 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.325 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.7 ptm -122.16 135.38 54.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -113.55 -174.9 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -88.26 157.05 18.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -64.43 -18.28 64.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.3 27.74 7.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 179.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -142.38 138.87 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -101.14 121.53 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.6 136.42 33.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -118.9 117.23 28.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 122' ' ' VAL . 47.0 t -97.44 134.64 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.41 30.28 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.518 ' H ' HG12 ' A' ' 50' ' ' VAL . 35.5 tp60 -131.78 42.44 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.53 HD12 ' C ' ' A' ' 89' ' ' CYS . 21.1 mt -100.5 113.68 65.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.45 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -104.41 118.37 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.1 -17.25 4.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -101.9 164.15 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -141.09 -176.33 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.511 ' HG3' HG23 ' A' ' 77' ' ' VAL . 21.8 mt-10 -59.99 -19.13 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -82.53 -9.26 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -107.1 -18.37 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 82.3 mt -96.09 -19.05 19.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 tttp -63.78 -45.21 81.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -48.0 -50.65 11.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.695 HD22 ' NZ ' ' A' ' 111' ' ' LYS . 94.0 mt -66.33 -49.36 67.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 17.0 m-85 -64.27 -22.61 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.6 -0.18 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.14 -18.4 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -100.94 -42.92 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.64 -178.91 44.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -71.89 134.91 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 66' ' ' PHE . 64.8 mt -81.47 159.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE2' ' HD2' ' A' ' 41' ' ' LYS . 6.2 t80 -114.47 -38.07 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -169.22 126.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.14 120.6 33.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.0 m -135.98 139.08 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 59' ' ' GLU . 72.3 t -97.13 135.2 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.407 HD21 ' CE2' ' A' ' 91' ' ' PHE . 40.6 mt -84.91 133.19 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -136.13 151.04 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.67 -179.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -115.69 -39.2 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.3 -37.15 53.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.9 p -107.89 -13.72 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 48.12 25.7 4.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -96.0 160.11 14.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -62.53 102.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -61.42 -39.08 89.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.07 41.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.53 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -160.5 155.58 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB3' HD11 ' A' ' 53' ' ' ILE . . . -150.14 142.63 24.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.407 ' CE2' HD21 ' A' ' 78' ' ' LEU . 7.2 m-85 -94.29 111.06 22.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 tp -103.0 138.56 39.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -124.18 139.7 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -114.52 137.61 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 96' ' ' ALA . 3.1 p -62.67 -40.56 97.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' N ' ' SG ' ' A' ' 95' ' ' CYS . . . -94.95 177.37 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -97.78 -32.15 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.0 p-10 -71.85 -48.53 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.3 m -40.15 -47.83 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.0 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 98' ' ' ASP . 21.9 mt -54.04 -48.16 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -62.86 -69.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.17 -25.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.96 -65.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.8 t -71.28 -4.67 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.02 -21.24 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 92.2 mt -110.6 -47.62 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -41.45 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 54.76 41.47 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.89 -44.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.695 ' NZ ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -100.0 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -146.43 105.59 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.98 155.48 63.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.56 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.44 -7.31 26.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -111.78 109.49 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.16 -34.49 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -94.0 155.84 39.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 175.38 8.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.418 HG12 HG23 ' A' ' 122' ' ' VAL . 2.9 tt -86.65 125.82 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.23 119.88 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 50' ' ' VAL . 34.3 t -129.37 118.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -124.14 147.36 54.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -37.37 95.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' PRO . . . -129.58 121.51 27.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.8 t -65.1 -49.18 70.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.76 113.18 26.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -98.63 144.81 17.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -86.02 139.81 30.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 159.71 91.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.71 173.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.8 m -60.65 155.33 19.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -38.06 -89.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.41 65.02 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.5 t -115.35 -59.14 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.6 p -66.64 -59.51 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.439 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.1 t -102.69 83.35 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.5 p -89.01 89.45 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.69 79.34 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.5 p -108.22 138.71 44.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.1 p -40.12 134.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.35 84.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 m -90.91 145.65 32.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.663 0.744 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' MET . 54.0 Cg_endo -69.75 -24.52 29.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' PRO . 9.5 mtt -32.0 125.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 19.5 pttt -74.96 -174.36 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 4.7 m-20 -101.05 148.42 25.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -66.12 -29.93 70.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.95 28.51 8.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 42' ' ' ASP . . . -65.25 178.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 mt -121.08 134.02 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 32.6 tttt -94.79 104.7 16.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.604 HD22 HG12 ' A' ' 122' ' ' VAL . 31.6 mt -77.14 138.75 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 89' ' ' CYS . 24.9 t80 -122.04 123.24 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.63 133.0 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.48 31.67 3.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 28.9 mm-40 -134.13 39.25 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.4 116.13 63.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -105.48 120.96 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.36 -23.23 3.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.3 164.35 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.46 -174.99 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.507 ' HG3' HG23 ' A' ' 77' ' ' VAL . 25.5 mp0 -56.46 -22.9 35.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.58 -18.88 60.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.98 -15.26 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 61.2 mt -95.88 -33.94 12.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.663 ' HG2' HD13 ' A' ' 72' ' ' ILE . 11.7 mtmm -52.68 -45.53 96.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -47.93 -50.35 11.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.5 -50.84 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.868 ' HB2' HD11 ' A' ' 72' ' ' ILE . 25.9 m-85 -58.58 -24.11 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -82.62 -0.01 45.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.53 -20.44 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.506 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 89.5 m-85 -108.41 -47.57 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -156.16 174.11 34.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -79.67 127.28 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.868 HD11 ' HB2' ' A' ' 66' ' ' PHE . 28.7 mt -71.39 152.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 39.0 t80 -118.89 -48.53 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -142.99 119.55 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 tp -128.51 123.91 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -142.89 118.52 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 59' ' ' GLU . 91.3 t -76.71 132.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 91' ' ' PHE . 28.6 mt -79.84 129.44 34.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.57 149.55 43.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.21 -177.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.656 ' CG ' HD12 ' A' ' 82' ' ' LEU . 8.0 ptp180 -120.78 -43.11 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 81' ' ' ARG . 5.4 mp -71.51 -33.68 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 -33.76 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.51 76.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.28 170.1 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -79.29 93.87 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -50.53 -45.08 56.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.43 40.88 0.41 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 4.3 m -156.2 163.47 39.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.58 144.59 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 78' ' ' LEU . 22.2 m-85 -98.79 114.55 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.622 HD22 ' CD1' ' A' ' 66' ' ' PHE . 15.4 tp -106.33 143.82 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.8 m -131.8 123.32 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.555 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 11.8 m-85 -95.67 123.17 39.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.1 p -35.21 -39.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.32 165.47 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 16.1 ptt-85 -76.32 -38.12 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 101' ' ' LEU . 32.0 m-20 -59.74 -54.81 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.555 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 29.5 m -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 94' ' ' TYR . . . -69.77 -56.69 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.045 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 98' ' ' ASP . 24.4 mt -43.27 -49.24 6.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -61.84 -70.07 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.11 -27.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.79 -58.49 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -77.73 -6.14 53.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.506 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -99.78 -20.51 16.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.074 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.2 mt -110.55 -40.43 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -50.35 102.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 63.88 37.78 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -126.96 -44.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.04 159.05 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 83.0 m -134.64 98.02 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.7 mt -50.21 153.6 2.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 109.66 2.37 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.16 7.7 32.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 29.3 mmm -118.24 115.69 25.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.11 -37.03 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -99.89 158.19 32.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.95 2.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.3 tt -91.02 141.3 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -112.09 119.81 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.604 HG12 HD22 ' A' ' 48' ' ' LEU . 21.7 t -131.74 117.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -130.77 152.84 81.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.11 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.39 147.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -160.86 161.74 31.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.6 m -112.84 79.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -143.8 173.66 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -113.97 54.1 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -75.26 119.29 19.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.45 ' C ' ' OE1' ' A' ' 132' ' ' GLU . . . -86.3 -145.63 8.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 131' ' ' GLY . 2.3 mp0 -133.2 129.62 38.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.7 m -125.69 153.94 43.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.792 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.14 132.9 3.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 155.44 66.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.37 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m -79.93 -42.87 23.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.1 p -92.46 118.36 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -132.05 132.78 43.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t 68.0 39.54 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.33 -151.88 38.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' GLY . 15.4 m -93.93 151.85 19.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.863 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' SER . 96.7 p -37.5 -31.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 100.8 61.21 0.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.04 141.9 40.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 115.78 4.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -120.98 146.28 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -129.25 -175.14 3.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.42 154.8 18.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -64.97 -27.09 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -113.42 28.01 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 178.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -141.26 144.03 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -105.81 115.37 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.0 mt -85.51 142.94 28.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 42.8 t80 -123.0 132.21 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.48 132.5 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.61 28.81 5.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' O ' HD12 ' A' ' 113' ' ' LEU . 60.2 mm-40 -134.42 37.7 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mt -101.71 113.36 65.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.583 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.7 Cg_endo -69.72 -172.74 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -102.44 118.22 36.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.9 -28.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.7 mt -99.93 176.65 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.952 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -145.49 -176.27 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HB3' HD23 ' A' ' 75' ' ' LEU . 14.3 mt-10 -60.68 -23.74 65.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -71.84 -24.5 61.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.8 t70 -91.27 -21.78 20.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.76 -25.79 18.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.701 ' HG3' HD12 ' A' ' 72' ' ' ILE . 28.4 tttp -55.23 -45.78 99.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.0 -55.51 3.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' HE2' ' A' ' 111' ' ' LYS . 87.0 mt -60.18 -56.35 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.606 ' HB2' HD11 ' A' ' 72' ' ' ILE . 25.7 m-85 -57.34 -28.17 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.93 -6.2 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.15 -14.1 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -110.27 -34.26 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.66 175.89 47.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -78.75 125.81 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.701 HD12 ' HG3' ' A' ' 63' ' ' LYS . 60.0 mt -70.13 150.09 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 8.2 t80 -104.92 -32.98 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -166.01 126.6 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' A' ' 59' ' ' GLU . 12.2 tp -128.08 120.51 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 90' ' ' ALA . 37.1 t -91.67 139.61 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -89.83 120.3 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -128.32 154.05 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.99 176.72 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -118.67 -43.72 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.88 -42.94 76.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.6 p -100.26 -33.02 10.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.59 21.31 77.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.86 148.57 22.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -56.45 103.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -50.41 -51.39 46.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.66 42.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 2.0 p -171.66 162.38 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -155.4 148.59 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.77 117.58 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.455 HD22 ' CE1' ' A' ' 66' ' ' PHE . 17.8 tp -109.84 138.89 45.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -126.24 130.29 50.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 9.6 m-85 -101.99 149.14 24.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.7 m -70.88 -39.17 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.87 160.62 15.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -33.36 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 101' ' ' LEU . 4.5 t70 -73.04 -52.19 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -40.07 -44.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.59 -53.13 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 98' ' ' ASP . 29.8 mt -47.44 -53.25 14.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -56.24 -67.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.33 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.78 -52.97 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 t -80.11 -6.47 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.37 -21.0 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.31 -45.67 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -47.04 111.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 53.55 40.34 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.78 -44.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.43 ' HE2' HD22 ' A' ' 65' ' ' LEU . 5.8 mmtm -98.96 171.23 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.3 m -147.11 107.09 3.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 52' ' ' GLN . 63.1 mt -62.77 154.45 75.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.664 0.745 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 108.12 2.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.85 6.87 24.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.1 mmt -119.64 114.05 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -56.16 -37.86 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 162.04 22.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.49 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -95.3 144.15 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.429 ' NE2' ' HG3' ' A' ' 52' ' ' GLN . 2.4 mp0 -113.37 119.85 39.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.4 t -130.38 115.9 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -125.39 155.33 71.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . . . -42.67 166.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . 56.19 50.13 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -164.55 119.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -98.02 -54.94 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 158.43 -168.29 34.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.73 162.85 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -159.4 90.8 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.0 161.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 39.5 t -122.57 159.31 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 165.25 146.18 4.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 94.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.251 . . . . 0.0 112.377 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.8 p -95.86 -38.49 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 22.8 t -163.18 112.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.4 p -111.66 118.16 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -99.34 98.66 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.64 70.91 0.6 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.4 m -84.53 131.91 34.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -92.03 134.0 35.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.56 146.5 5.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.3 m -80.1 139.55 53.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 140.97 44.11 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.787 2.325 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.6 mtp -96.44 147.57 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -131.36 -174.99 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -100.2 143.98 29.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -58.27 -38.24 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -108.33 38.0 2.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mt -144.1 127.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.529 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 29.2 tttt -87.36 101.85 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.56 140.33 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.15 124.4 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.797 HG22 HG22 ' A' ' 122' ' ' VAL . 51.8 t -103.21 135.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.46 31.5 3.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.614 ' O ' HD12 ' A' ' 113' ' ' LEU . 91.4 mm-40 -134.36 40.43 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.712 HD13 HD11 ' A' ' 62' ' ' LEU . 44.9 mt -104.5 119.05 55.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.4 Cg_endo -69.78 -178.76 2.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HD3' HD22 ' A' ' 85' ' ' LEU . 27.6 ttm180 -96.72 117.33 30.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.75 -21.06 2.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.93 151.32 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.3 -175.05 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.89 -33.73 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.02 -21.07 62.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.1 m-20 -87.13 -28.92 22.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 53' ' ' ILE . 88.3 mt -89.34 -36.66 15.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.5 mttt -46.99 -47.21 54.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -47.96 -48.4 16.39 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.58 -57.52 8.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.728 ' HB2' HD11 ' A' ' 72' ' ' ILE . 29.8 m-85 -57.63 -27.18 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG2' HD12 ' A' ' 72' ' ' ILE . 7.5 mm-40 -79.19 -2.22 39.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.72 -19.61 44.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 95.4 m-85 -105.99 -49.73 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.43 164.78 31.18 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -68.9 112.11 5.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 66' ' ' PHE . 43.0 mt -58.8 149.99 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 10.3 t80 -104.13 -34.54 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -175.2 121.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.48 130.64 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -139.97 112.25 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 89' ' ' CYS . 5.1 p -89.17 126.52 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.0 141.88 45.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -139.68 144.15 37.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.2 t70 -41.44 161.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -108.23 -36.5 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.78 -40.46 61.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -102.2 -33.73 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.79 25.56 57.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.482 HD22 ' HD3' ' A' ' 55' ' ' ARG . 13.9 mt -97.47 172.59 7.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.544 ' NE2' HG21 ' A' ' 77' ' ' VAL . 17.7 t-80 -68.34 112.13 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 5.8 mtpm? -63.64 -54.03 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.11 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.567 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.9 p -174.28 163.39 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -161.17 145.18 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.529 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 22.6 m-85 -96.36 109.08 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.685 HD22 ' CD1' ' A' ' 66' ' ' PHE . 12.4 tp -99.51 138.48 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.6 m -123.52 123.37 40.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.624 ' CE2' HD21 ' A' ' 92' ' ' LEU . 15.2 m-85 -98.96 138.06 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.37 -42.01 94.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.617 ' HB1' ' OD1' ' A' ' 98' ' ' ASP . . . -108.08 140.94 40.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptt180 -61.13 -29.1 69.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.617 ' OD1' ' HB1' ' A' ' 96' ' ' ALA . 4.0 p-10 -69.45 -56.86 6.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -43.83 -35.47 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -69.39 -50.43 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 98' ' ' ASP . 18.9 mt -51.83 -46.95 64.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 106' ' ' ALA . 81.2 mttt -61.76 -67.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.28 -38.09 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 5.0 tt0 -64.74 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.0 t -74.73 -4.63 38.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.56 -26.32 14.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.01 -41.94 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.449 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 57.0 t60 -47.41 107.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 56.56 37.87 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 5.6 mp0 -129.66 -44.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -100.02 158.82 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.0 m -134.9 100.88 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 52' ' ' GLN . 42.3 mt -51.15 154.53 2.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.32 17.24 14.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.9 mmm -125.76 120.2 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.76 -35.86 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 80.3 mtm-85 -98.93 155.89 36.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.86 3.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.426 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 13.6 tt -88.92 135.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.408 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 31.3 mt-30 -109.4 119.72 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.797 HG22 HG22 ' A' ' 50' ' ' VAL . 44.4 t -130.88 126.54 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 151.51 76.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -43.16 144.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . 51.31 54.89 10.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.6 t -169.33 145.3 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -89.73 122.67 33.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 175.1 73.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -108.86 162.39 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -137.63 112.93 0.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -89.49 42.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.2 p -162.66 175.17 11.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 150.18 -175.48 29.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -179.27 2.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 90.1 p -97.59 113.12 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.791 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 95.4 p -86.55 173.13 9.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.465 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -99.42 120.58 39.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 m -94.0 150.87 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.19 105.53 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -67.53 177.52 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 m -164.01 154.8 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.53 -91.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.3 143.52 31.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.655 0.74 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 109.64 2.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -116.95 129.38 56.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -111.08 -174.87 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -105.4 158.01 16.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -68.35 -35.61 78.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -108.76 37.77 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.47 -179.0 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 47' ' ' LYS . 38.8 mt -138.96 154.54 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 46' ' ' ILE . 19.7 tptt -105.47 122.26 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 94' ' ' TYR . 60.2 mt -95.24 134.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 122' ' ' VAL . 11.0 t -103.62 132.31 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.4 34.36 3.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.612 ' O ' HD12 ' A' ' 113' ' ' LEU . 27.2 mm100 -134.53 40.54 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.1 mt -106.33 113.76 62.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.5 Cg_endo -69.77 -179.59 3.02 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -95.32 117.31 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 -30.63 1.84 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.95 166.61 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.59 -176.17 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.713 ' HG3' HG23 ' A' ' 77' ' ' VAL . 21.4 mp0 -57.38 -22.78 44.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.23 -14.64 60.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-20 -103.97 -20.84 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 74.3 mt -91.07 -33.32 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 6.4 ttmm -49.85 -45.96 80.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.93 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -48.01 -53.86 6.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD22 ' HE2' ' A' ' 111' ' ' LYS . 51.6 mt -65.09 -54.11 35.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' HD22 ' A' ' 92' ' ' LEU . 22.5 m-85 -58.02 -25.85 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -83.16 -0.1 47.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -87.06 -13.68 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -108.74 -55.64 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.0 175.8 28.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -80.98 112.6 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 66' ' ' PHE . 20.1 mt -59.45 142.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 6.4 t80 -99.94 -34.6 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -169.0 121.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 tp -120.4 134.88 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -147.14 138.63 24.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.713 HG23 ' HG3' ' A' ' 59' ' ' GLU . 79.2 t -102.34 134.86 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.478 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -85.77 135.02 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -139.11 141.47 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.37 164.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -6.29 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -102.34 -46.33 4.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.9 p -104.4 -31.95 9.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.95 25.43 60.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.35 128.3 42.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -38.36 101.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' CE ' ' HB3' ' A' ' 78' ' ' LEU . 27.1 mtmt -54.03 -50.68 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.69 42.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -165.29 163.16 20.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.16 146.56 15.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.7 m-85 -93.91 120.95 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 66' ' ' PHE . 21.9 tp -109.85 133.21 53.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -121.72 133.15 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.448 ' CD2' HD12 ' A' ' 48' ' ' LEU . 12.7 m-85 -108.84 138.47 45.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -56.98 -43.48 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.39 158.6 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 20.1 ttm180 -68.31 -59.14 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -41.85 -59.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.4 m -41.51 -36.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 97' ' ' ARG . . . -71.14 -52.73 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.36 -45.09 80.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -57.79 -68.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . -52.85 -40.6 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 4.0 tt0 -59.69 -55.65 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.3 t -76.54 -12.5 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 110' ' ' GLN . . . -96.66 -20.18 18.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' ALA . 86.4 mt -106.21 -43.15 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 104' ' ' GLN . 61.8 t60 -49.59 101.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 67.24 37.27 3.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 12.5 mp0 -125.84 -44.77 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' HE2' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -100.25 158.94 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.7 m -135.06 99.29 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 52' ' ' GLN . 80.0 mt -56.67 154.99 15.59 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.24 3.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.57 15.04 30.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.4 mmm -127.56 97.36 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -44.88 -33.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -100.06 155.4 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.71 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 9.0 tt -88.58 136.16 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.405 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 27.5 mt-30 -109.65 119.73 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 50' ' ' VAL . 21.8 t -132.32 122.98 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -135.99 152.03 74.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.2 Cg_endo -69.7 81.43 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.92 -69.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.2 138.77 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.3 p -170.54 129.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.52 -57.13 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -69.47 -175.57 13.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 15.2 ttp-105 -171.44 146.59 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 175.84 -149.44 10.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -147.0 168.13 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.4 p -157.23 154.16 28.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -109.49 152.74 17.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 148.81 66.15 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 20.9 t -126.59 42.05 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.0 t -76.19 132.44 39.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -150.09 173.14 14.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.826 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -87.37 98.41 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.84 -170.02 43.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.1 p -162.56 126.02 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 m -98.69 148.91 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.93 169.35 26.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 m -47.66 143.64 5.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.14 6.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.7 mtt -98.64 142.88 29.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -130.67 -175.17 3.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -106.33 126.76 52.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -44.59 -31.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -111.88 39.02 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.77 172.46 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.07 152.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -107.32 105.45 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD22 HG12 ' A' ' 122' ' ' VAL . 35.7 mt -79.01 138.81 38.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 125' ' ' ALA . 65.4 t80 -121.65 121.94 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 122' ' ' VAL . 5.1 t -104.82 132.32 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.24 34.04 4.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.641 ' O ' HD12 ' A' ' 113' ' ' LEU . 9.3 tp-100 -133.18 43.14 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -108.89 112.33 60.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.551 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.8 Cg_endo -69.83 177.28 5.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.324 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 139.79 30.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.3 -25.37 9.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' OD2' ' A' ' 61' ' ' ASP . 53.0 mt -99.93 -178.02 3.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -160.59 -176.3 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' HG ' ' A' ' 75' ' ' LEU . 32.5 mp0 -51.45 -20.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 8.0 pt20 -72.08 -31.75 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 5.9 t70 -90.3 -19.46 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 17.0 mt -91.63 -35.14 14.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.935 ' HD3' HD12 ' A' ' 72' ' ' ILE . 4.4 mmtm -46.3 -47.63 45.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -47.99 -55.19 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.29 -55.35 29.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.86 ' HB2' HD11 ' A' ' 72' ' ' ILE . 21.2 m-85 -57.49 -27.69 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -83.76 -0.67 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -82.79 -23.14 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.414 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 96.9 m-85 -102.55 -42.36 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.58 172.25 44.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -67.38 150.06 49.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.935 HD12 ' HD3' ' A' ' 63' ' ' LYS . 81.7 mt -100.25 158.81 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 3.4 t80 -107.15 -35.32 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -171.83 125.27 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 8.0 tp -119.54 121.28 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -139.44 126.37 20.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.782 HG12 ' HB2' ' A' ' 90' ' ' ALA . 29.3 m -93.22 152.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -99.06 136.22 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -133.47 144.35 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.86 172.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -110.77 -43.83 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.41 -40.41 89.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.2 p -103.5 -50.22 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 25.45 17.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.3 mt -99.36 143.31 29.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -46.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -45.52 -55.72 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.61 41.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.74 166.75 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.782 ' HB2' HG12 ' A' ' 77' ' ' VAL . . . -159.12 150.6 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -97.9 117.28 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' ' 66' ' ' PHE . 18.5 tp -108.79 127.32 53.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.1 m -115.2 115.57 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.1 m-85 -87.24 139.44 30.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.74 -37.79 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.0 168.88 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -80.77 -48.35 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.505 ' HA ' HD12 ' A' ' 101' ' ' LEU . 1.4 m-20 -54.02 -55.82 23.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -43.42 -39.77 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -70.58 -54.2 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 98' ' ' ASP . 17.3 mt -49.53 -47.24 49.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 35.7 mtpt -60.34 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -32.72 11.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -69.13 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -75.01 -2.5 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -100.09 -20.79 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.454 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 85.4 mt -113.47 -42.24 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -40.08 109.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 56.27 42.28 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' LEU . 8.7 mt-30 -133.8 -44.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.512 ' O ' HG22 ' A' ' 120' ' ' ILE . 9.9 mmmt -100.04 172.89 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.1 m -155.96 113.05 3.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' GLN . 23.8 mt -62.99 157.44 61.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 108.59 2.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.36 11.68 17.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -124.02 123.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -69.22 -35.04 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -93.93 154.15 40.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.8 Cg_endo -69.77 178.0 5.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 111' ' ' LYS . 2.4 tt -86.69 120.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -100.37 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.437 HG23 HG12 ' A' ' 120' ' ' ILE . 21.4 t -129.26 118.55 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -129.65 153.37 80.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.78 85.1 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . . . -33.94 -53.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -104.83 92.6 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.7 m -92.26 93.04 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -121.57 97.63 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -165.92 -41.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -47.95 103.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -150.97 -103.39 0.26 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 53.63 42.3 31.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.2 p -65.56 131.26 45.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -174.5 155.58 21.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 134.16 27.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.1 m -83.5 177.64 8.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.1 m -95.24 160.04 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -161.57 174.87 12.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 t -173.29 151.81 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.82 -127.81 2.7 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 p -52.21 117.34 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -104.59 171.55 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.35 -147.88 5.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 p -60.84 131.64 91.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 168.47 21.53 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.8 mtt -146.6 126.92 13.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 13.9 pttp -112.89 160.45 18.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -83.53 157.29 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.28 1.07 55.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.84 157.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mt -131.77 145.63 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 18.4 tttt -102.49 105.58 16.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.17 148.38 32.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.2 136.3 50.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.45 135.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.75 31.37 3.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' O ' HD12 ' A' ' 113' ' ' LEU . 17.9 mm100 -133.07 40.09 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.2 mt -103.07 116.35 62.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -166.35 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.403 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -109.02 118.79 37.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.96 -21.76 3.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -106.17 170.41 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.04 -179.6 6.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.715 ' CD ' HG13 ' A' ' 77' ' ' VAL . 1.2 mm-40 -55.93 -26.13 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -69.16 -21.96 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -95.63 -18.85 20.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 60.2 mt -94.21 -27.23 16.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 ttmp? -55.74 -45.18 99.92 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.04 -49.11 14.63 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.15 -48.29 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.896 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.8 m-85 -62.73 -25.1 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -81.28 -3.24 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.48 -19.07 36.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -101.62 -40.14 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.17 174.0 46.39 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -66.97 130.47 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.896 HD11 ' HB2' ' A' ' 66' ' ' PHE . 83.6 mt -78.22 155.65 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 17.5 t80 -109.86 -46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -148.71 140.24 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.436 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 7.6 tp -144.71 115.71 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 m -145.12 123.89 12.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.715 HG13 ' CD ' ' A' ' 59' ' ' GLU . 32.1 m -77.84 152.86 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.53 139.71 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -136.21 151.78 50.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.6 m-20 -46.0 172.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -110.41 -29.11 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 10.2 mt -77.27 -44.47 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.8 p -108.25 -35.21 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.47 19.88 55.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.7 mt -86.12 143.27 28.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -45.89 116.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 29.1 mtmt -75.09 -56.43 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.36 43.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.5 170.77 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' HB2' HG12 ' A' ' 77' ' ' VAL . . . -163.07 144.54 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 6.2 m-85 -92.91 116.6 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.9 tp -115.14 130.64 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.8 m -122.13 130.98 53.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 10.9 m-85 -96.87 144.68 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 p -61.95 -31.75 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.9 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.36 15.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -59.55 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.9 m -50.02 -32.68 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 94' ' ' TYR . . . -72.75 -47.96 42.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.29 -52.01 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 25.4 mtpp -56.75 -68.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.08 -26.72 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.19 -63.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.4 t -76.77 -6.07 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -95.68 -22.31 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -110.26 -37.99 5.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -50.16 106.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 60.74 37.53 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -126.12 -44.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.06 158.85 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 52.3 m -132.94 102.98 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 52' ' ' GLN . 42.1 mt -57.64 155.71 20.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 120.92 7.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.91 7.94 63.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mmm -118.39 98.44 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -45.65 -33.67 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -99.82 155.82 36.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -167.0 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.6 tt -99.49 139.82 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -112.67 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 23.9 t -133.14 125.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 156.38 72.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.7 Cg_endo -69.77 85.32 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -37.99 104.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -166.22 173.13 10.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.1 t -66.58 122.11 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -109.29 111.47 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -102.97 -114.34 3.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 9.5 ttp-105 -141.19 110.75 6.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -149.77 99.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -167.02 117.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -144.12 155.13 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.75 74.39 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -179.33 2.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.28 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.6 p -172.45 169.52 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 70.5 m -52.86 -55.85 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -95.78 114.38 26.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -161.52 165.22 28.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.93 -131.67 2.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.7 m -128.84 95.53 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -66.68 -46.16 76.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.4 -115.96 0.58 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.7 129.99 24.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 122.06 8.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -111.55 156.03 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 16.4 pttp -129.16 -175.18 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -102.17 156.95 17.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -64.72 -34.92 79.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.72 10.11 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.51 165.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.9 mt -136.5 148.84 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 25.1 tttt -106.97 102.93 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 HG12 ' A' ' 122' ' ' VAL . 48.0 mt -79.07 144.78 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -126.63 126.28 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.089 HG22 HG22 ' A' ' 122' ' ' VAL . 96.5 t -103.14 138.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.54 34.53 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.521 ' H ' HG12 ' A' ' 50' ' ' VAL . 61.0 tp60 -134.59 42.35 2.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.6 mt -103.12 112.71 65.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 178.84 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -93.88 116.9 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.65 -29.59 2.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 mt -101.58 161.67 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.33 -175.12 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.661 ' OE2' HG23 ' A' ' 77' ' ' VAL . 32.5 mp0 -55.1 -18.95 6.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -71.87 -24.12 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.41 -11.78 20.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 36.8 mt -96.53 -33.32 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.732 ' HG3' HD12 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -51.02 -45.54 88.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.556 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -47.95 -55.87 3.62 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.28 -55.11 35.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.797 ' CE1' HD22 ' A' ' 92' ' ' LEU . 25.3 m-85 -56.22 -29.94 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.36 -11.3 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -78.64 -17.3 56.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.427 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 93.4 m-85 -105.97 -49.8 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.74 171.69 38.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -73.56 120.84 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.743 HD11 ' HB2' ' A' ' 66' ' ' PHE . 49.9 mt -67.01 143.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 9.6 t80 -99.98 -30.62 11.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -172.07 124.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 ' HB3' ' A' ' 59' ' ' GLU . 24.5 tp -124.63 128.91 49.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -142.57 138.57 30.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.661 HG23 ' OE2' ' A' ' 59' ' ' GLU . 97.2 t -98.69 137.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.645 HD11 ' CE2' ' A' ' 91' ' ' PHE . 22.8 mt -88.45 141.58 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -137.31 168.55 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.69 -177.44 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -120.15 -59.94 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.28 -39.76 91.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 p -101.3 -45.69 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.9 27.33 50.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.6 mt -96.34 133.75 40.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -43.54 97.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -50.99 -45.29 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.75 35.13 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.9 m -149.75 163.65 37.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.67 147.04 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 78' ' ' LEU . 16.6 m-85 -96.59 114.4 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.797 HD22 ' CE1' ' A' ' 66' ' ' PHE . 11.3 tp -106.04 137.16 44.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -129.85 125.49 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.5 m-85 -95.25 151.32 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.2 p -75.76 -30.35 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -112.84 145.0 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.74 -53.88 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.5 m -42.6 -36.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -73.9 -55.71 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.5 mt -49.83 -49.76 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 106' ' ' ALA . 59.3 mttt -57.51 -68.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.01 -35.99 11.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -63.22 -57.64 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.1 t -80.39 -5.99 57.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -98.72 -20.67 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -111.96 -45.02 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.552 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 78.2 t60 -47.21 108.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.461 ' CG ' ' OE1' ' A' ' 121' ' ' GLN . 14.2 mt-10 59.37 38.14 23.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -130.22 -44.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -100.4 156.44 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 56.8 m -133.09 99.24 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.8 mt -55.59 155.97 9.65 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.25 -1.99 56.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -111.97 118.08 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -64.81 -33.1 75.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.469 ' HG2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -100.14 156.39 35.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 176.09 7.25 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.47 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -86.72 130.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.552 ' OE1' ' CE1' ' A' ' 108' ' ' HIS . 12.5 mm100 -103.28 119.58 39.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 1.089 HG22 HG22 ' A' ' 50' ' ' VAL . 41.1 t -130.14 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.04 155.47 70.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 87.75 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.384 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.89 133.23 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . 60.31 54.98 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 t -151.1 107.62 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -85.5 164.79 17.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 66.04 -179.3 11.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -98.96 153.31 18.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -76.8 63.72 3.09 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -86.65 91.59 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.8 t -110.75 115.2 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -89.17 147.59 19.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 135.85 31.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -166.03 132.32 2.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.2 p -73.55 173.76 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.9 m -59.32 -52.43 65.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -112.4 127.96 56.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.08 -142.67 8.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.8 m -123.16 136.29 54.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.818 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.9 p -152.59 129.66 11.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.08 -76.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.51 HG23 ' HD2' ' A' ' 39' ' ' PRO . 7.1 p -112.29 135.38 21.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 111.096 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HD2' HG23 ' A' ' 38' ' ' VAL . 54.1 Cg_endo -69.74 145.41 57.16 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.661 2.241 . . . . 0.0 112.389 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -105.06 149.89 25.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -126.94 -174.93 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 45' ' ' ALA . 10.5 m-20 -115.38 126.7 54.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -41.51 -35.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -107.16 41.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 42' ' ' ASP . . . -71.36 178.12 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.14 152.62 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ALA . 6.7 ttpm? -110.57 117.36 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.65 141.93 28.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 2.8 t80 -123.84 126.82 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.547 HG22 HG22 ' A' ' 122' ' ' VAL . 18.1 t -103.59 133.65 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.68 32.39 3.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 46.0 tp60 -133.4 41.06 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.727 0.299 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mt -105.74 114.76 62.57 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -167.68 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -106.72 118.77 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.71 -24.99 3.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.38 169.93 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.06 -175.1 4.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 77' ' ' VAL . 1.3 mm-40 -56.79 -25.17 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.04 -20.4 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -97.81 -18.25 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 96.4 mt -92.04 -34.47 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.746 ' HD2' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -48.26 -46.75 67.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.8 Cg_exo -48.0 -43.99 28.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.8 mt -74.67 -54.48 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.924 ' HB2' HD11 ' A' ' 72' ' ' ILE . 20.3 m-85 -58.43 -24.05 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -82.95 -5.65 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.55 -20.86 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 106' ' ' ALA . 89.2 m-85 -101.14 -46.89 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.94 -173.45 34.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -86.27 125.94 33.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 66' ' ' PHE . 58.6 mt -72.41 143.66 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 5.0 t80 -100.62 -33.81 10.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -160.34 115.93 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' ' 72' ' ' ILE . 7.3 tp -121.39 114.72 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 77' ' ' VAL . 3.4 m -137.1 154.53 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 59' ' ' GLU . 47.3 t -114.15 137.03 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 91' ' ' PHE . 18.2 mt -86.3 131.05 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -129.53 160.79 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.74 -177.39 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -39.4 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.71 -41.83 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.7 p -101.16 -8.09 22.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 42.18 29.88 0.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.7 mt -97.54 172.39 7.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -74.46 107.96 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -57.87 -50.37 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.51 42.43 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -171.8 151.27 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.65 153.95 49.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 78' ' ' LEU . 3.7 m-85 -103.57 110.44 22.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.509 HD11 HG12 ' A' ' 72' ' ' ILE . 23.3 tp -108.59 138.26 45.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -130.87 120.02 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.3 m-85 -86.85 142.59 27.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -62.91 -39.34 94.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.54 -179.46 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -93.25 -41.1 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 101' ' ' LEU . 10.8 t0 -69.31 -47.0 65.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.459 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 68.7 m -41.06 -43.66 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -65.71 -55.19 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 98' ' ' ASP . 14.8 mt -50.49 -45.26 56.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -60.14 -69.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB2' ' CG ' ' A' ' 69' ' ' PHE . . . -54.63 -20.03 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -77.92 -53.59 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.7 t -80.35 -9.54 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HB3' ' CE2' ' A' ' 69' ' ' PHE . . . -95.84 -17.79 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.3 mt -113.17 -44.29 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -48.61 102.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 64.61 36.81 8.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -128.85 -43.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -98.81 157.39 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.2 m -134.97 96.22 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 52' ' ' GLN . 63.5 mt -52.35 154.79 4.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.61 4.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.98 -1.68 41.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.1 mmt -112.86 118.02 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -63.06 -34.08 76.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -99.06 156.69 35.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 178.03 4.96 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.3 tt -86.99 132.98 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -105.51 119.98 40.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.547 HG22 HG22 ' A' ' 50' ' ' VAL . 26.0 t -131.47 113.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -124.92 154.9 71.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.75 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -34.07 -54.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.89 136.93 36.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.5 p -134.19 140.73 46.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -81.32 143.92 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -62.34 151.79 45.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -88.64 176.58 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -145.7 -46.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -76.05 103.44 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.0 p -120.41 100.16 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -151.32 83.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -1.32 8.26 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.5 m 62.23 46.0 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 93.8 p -108.47 127.16 53.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -167.69 133.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.877 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -125.83 95.89 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.04 95.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.7 m -94.78 122.5 37.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -109.05 -52.15 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.87 -179.7 51.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.0 143.35 65.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 119.87 6.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.3 mtt -100.98 137.18 39.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 11.8 ptmt -123.52 -177.13 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 6.2 p-10 -111.19 135.93 50.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -56.0 -35.71 67.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -87.31 12.33 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.39 170.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.23 123.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 17.2 tttt -81.25 104.04 11.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD22 HG12 ' A' ' 122' ' ' VAL . 29.1 mt -80.59 125.5 30.08 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -108.36 120.22 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 122' ' ' VAL . 14.3 t -102.37 135.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.95 33.38 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 27.9 mm100 -134.26 42.12 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.78 114.07 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 162.77 40.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -82.02 115.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.92 -29.78 1.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.6 mt -100.28 163.07 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.01 -175.27 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 77' ' ' VAL . 2.0 mp0 -55.32 -22.52 19.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.2 -24.73 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 4.6 t70 -100.34 -15.76 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 96.6 mt -90.74 -38.54 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 9.1 ttmt -49.33 -46.18 77.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.592 0.711 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -44.84 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.29 -55.19 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.763 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.5 m-85 -57.78 -25.47 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -81.82 0.03 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -83.43 -28.26 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.467 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 93.9 m-85 -99.69 -46.02 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 177.22 40.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.81 147.39 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.763 HD11 ' HB2' ' A' ' 66' ' ' PHE . 23.1 mt -95.48 143.43 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 16.9 t80 -100.03 -29.79 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -169.31 135.3 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.15 126.71 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 m -139.29 132.66 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' HG3' ' A' ' 59' ' ' GLU . 72.5 t -99.62 127.2 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 91' ' ' PHE . 37.4 mt -76.37 137.69 39.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -137.81 153.79 49.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.57 -179.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -120.73 -47.2 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.9 mt -68.43 -44.42 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.8 p -102.46 -25.77 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.49 24.64 71.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.02 146.92 23.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -57.05 99.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -52.66 -48.8 66.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.448 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 123.16 39.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 1.9 m -156.27 160.43 39.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.7 148.34 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' ' 78' ' ' LEU . 33.8 m-85 -98.4 122.32 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.628 HD22 ' CD1' ' A' ' 66' ' ' PHE . 25.5 tp -108.93 138.42 45.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.3 m -127.86 110.63 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CE2' HD21 ' A' ' 92' ' ' LEU . 9.5 m-85 -85.29 142.22 29.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.1 p -67.34 -26.51 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.88 150.73 39.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.62 -62.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 99' ' ' SER . 3.3 m-20 -45.88 -58.91 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' ASP . 46.3 m -35.26 -45.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -66.81 -53.85 28.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.83 -52.47 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -53.37 -69.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.62 -38.79 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.55 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 t -76.14 -1.58 26.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.467 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -100.18 -19.22 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 mt -116.35 -36.41 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.97 118.72 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 40.53 34.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -129.11 -40.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.523 ' O ' HG22 ' A' ' 120' ' ' ILE . 1.0 OUTLIER -100.5 154.74 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.3 m -128.68 109.81 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.86 155.85 39.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.72 2.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.48 16.88 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 34.9 mmm -124.12 115.69 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -61.11 -34.13 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -99.99 153.85 37.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 176.76 6.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 111' ' ' LYS . 6.6 tt -91.39 135.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.4 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 50.8 mt-30 -111.33 119.79 40.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.734 HG12 HD22 ' A' ' 48' ' ' LEU . 40.2 t -129.69 115.57 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -121.41 148.19 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.701 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 87.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.98 106.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -170.3 155.71 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.8 t -46.41 142.63 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.6 172.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 65.82 98.52 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 131' ' ' GLY . 0.0 OUTLIER -112.29 85.57 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 130' ' ' ARG . . . -37.45 118.47 0.58 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -93.64 114.13 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 t -129.01 115.83 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -117.78 -78.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.42 3.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.3 t -111.35 158.03 19.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.1 m -154.91 139.26 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.8 t -148.03 132.49 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -48.78 137.7 12.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.9 55.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 t -39.36 145.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.368 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.1 m -139.34 154.17 47.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.3 -139.54 4.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.7 m -39.69 144.38 0.5 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 143.6 51.59 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.1 mtp -122.74 138.5 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -117.48 -174.8 2.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.83 146.79 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -55.2 -40.66 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -106.2 39.47 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.35 178.26 2.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.4 mt -137.89 148.12 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 6.4 ttmt -107.36 114.49 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 96.0 mt -89.88 120.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 31.3 t80 -102.27 131.65 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 122' ' ' VAL . 24.3 t -106.09 137.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.05 28.22 4.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.493 ' H ' HG12 ' A' ' 50' ' ' VAL . 5.4 mm-40 -133.31 41.84 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.9 mt -99.96 115.82 65.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 113' ' ' LEU . 54.0 Cg_endo -69.76 -171.29 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -103.18 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.99 -29.14 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.39 156.67 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.09 -175.02 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.605 ' CG ' HG23 ' A' ' 77' ' ' VAL . 16.3 mt-10 -57.31 -20.74 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.8 -16.0 54.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.3 m-20 -103.27 -20.16 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 32.1 mt -89.72 -35.25 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 12.8 tttp -48.22 -46.69 67.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.8 Cg_exo -47.99 -47.68 18.44 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -59.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.527 ' CD1' HD22 ' A' ' 92' ' ' LEU . 29.0 m-85 -56.46 -25.55 51.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 0.07 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -87.0 -20.52 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -102.32 -50.49 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.19 169.32 36.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -71.91 126.88 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 73' ' ' TYR . 22.1 mt -71.6 161.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 23.2 t80 -114.95 -41.42 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -163.35 117.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.5 tp -115.34 136.29 53.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 m -149.76 137.24 19.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' CG ' ' A' ' 59' ' ' GLU . 97.1 t -100.53 138.77 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.7 mt -92.57 141.67 28.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 33.8 mttp -138.26 160.01 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.24 179.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -115.34 -54.91 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.7 mt -62.23 -40.57 96.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.6 p -103.9 -43.08 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.55 28.64 38.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 86' ' ' HIS . 25.8 mt -99.21 133.6 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 85' ' ' LEU . 26.0 t-80 -35.75 109.38 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 12.6 mtpp -65.54 -38.65 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 1.8 p -157.39 163.08 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.25 145.97 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.4 m-85 -96.62 113.64 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.527 HD22 ' CD1' ' A' ' 66' ' ' PHE . 12.9 tp -106.24 127.71 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 m -115.12 127.9 55.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -101.16 151.07 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 79.6 m -65.14 -47.31 77.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 11.0 ptt180 -73.65 -40.08 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.661 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -59.59 -57.36 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -40.82 -39.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.36 53.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 98' ' ' ASP . 14.2 mt -53.24 -44.46 68.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.27 -70.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . -48.42 -42.23 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -56.54 -57.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -76.81 -9.84 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 110' ' ' GLN . . . -100.03 -15.07 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 103' ' ' ALA . 60.7 mt -111.29 -43.75 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.433 ' N ' ' OE1' ' A' ' 110' ' ' GLN . 59.2 t60 -50.9 98.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 69.72 33.98 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.46 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 14.8 mp0 -125.02 -44.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 112' ' ' THR . 0.0 OUTLIER -100.3 156.21 17.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 60.6 m -134.2 100.27 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 54' ' ' PRO . 59.7 mt -54.41 154.26 8.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 113.17 3.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.39 13.82 34.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mmm -123.25 97.12 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -43.63 -35.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 153.28 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.9 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.298 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 111' ' ' LYS . 5.6 tt -87.96 145.68 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.466 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 52.7 mt-30 -119.49 119.35 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 50' ' ' VAL . 22.3 t -128.42 134.32 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -144.58 151.13 49.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 85.41 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -42.22 144.51 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -169.51 130.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 t -89.55 -53.16 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 128' ' ' GLU . 1.8 pm0 -94.63 -30.24 14.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 61.93 -132.56 46.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.47 87.47 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.829 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -126.88 137.98 10.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.28 152.78 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.5 m -74.04 -56.12 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 174.0 -70.71 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 142.02 46.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 45.0 t -60.08 90.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.6 m -148.47 159.41 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.3 m -132.86 107.77 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 t -72.78 -60.55 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.93 145.56 6.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -87.61 106.19 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -94.29 146.34 24.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.61 -143.88 14.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.12 129.53 8.91 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.53 60.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.9 mtm -123.43 127.74 48.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.3 ptmt -105.46 167.5 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 45' ' ' ALA . 5.8 p-10 -92.75 152.52 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -61.18 -32.88 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -93.0 4.94 53.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' OD2' ' A' ' 42' ' ' ASP . . . -43.97 162.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mt -133.84 148.98 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' ' CD1' ' A' ' 91' ' ' PHE . 17.6 tttt -105.18 103.28 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD22 HG12 ' A' ' 122' ' ' VAL . 57.5 mt -80.3 138.38 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 53.8 t80 -119.03 137.5 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 122' ' ' VAL . 73.7 t -113.31 133.29 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -125.3 29.03 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' O ' HD12 ' A' ' 113' ' ' LEU . 1.3 mp0 -130.97 43.87 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 89' ' ' CYS . 29.9 mt -106.55 114.15 62.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.733 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.67 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.19 121.49 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.49 -27.81 3.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.52 HD13 ' OD2' ' A' ' 61' ' ' ASP . 53.7 mt -100.55 157.7 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.13 -175.27 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.618 ' CG ' HG23 ' A' ' 77' ' ' VAL . 32.3 mt-10 -56.41 -19.04 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.57 -20.56 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.52 ' OD2' HD13 ' A' ' 57' ' ' LEU . 26.3 t70 -103.03 -14.68 16.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 79.5 mt -93.24 -30.94 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.636 ' HG3' HD12 ' A' ' 72' ' ' ILE . 15.5 ttmt -55.39 -45.19 99.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -48.0 -54.8 4.7 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.307 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.89 -50.55 70.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.966 ' HB2' HD11 ' A' ' 72' ' ' ILE . 22.1 m-85 -61.43 -26.13 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -83.25 -2.68 56.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.31 -22.06 30.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -102.47 -39.4 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.47 173.81 45.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -74.76 128.03 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.317 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.966 HD11 ' HB2' ' A' ' 66' ' ' PHE . 94.8 mt -74.6 152.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 10.3 t80 -106.41 -42.88 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -158.83 118.28 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 tp -118.96 126.51 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -142.65 130.16 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.618 HG23 ' CG ' ' A' ' 59' ' ' GLU . 97.7 t -94.01 135.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.641 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -82.57 140.55 33.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -139.64 154.14 47.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.65 175.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -109.51 -41.48 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.45 -40.36 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -100.69 -28.34 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.45 17.88 62.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.3 mt -87.74 172.33 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -70.32 104.39 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -59.01 -47.85 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.61 42.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.2 p -170.22 162.54 8.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.33 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.28 144.35 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.641 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.7 m-85 -94.0 116.52 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 66' ' ' PHE . 13.0 tp -108.09 131.17 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.6 m -121.88 125.9 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 11.7 m-85 -94.16 162.7 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.9 p -80.44 -31.72 37.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.96 164.6 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -76.34 -29.05 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 6.3 t0 -71.33 -55.91 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -42.8 -38.16 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -71.51 -56.93 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.8 mt -47.21 -50.59 20.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 106' ' ' ALA . 23.0 mtpt -59.21 -68.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.64 -30.46 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -70.03 -61.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -76.31 -2.71 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.02 -24.89 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.6 mt -109.5 -39.52 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -49.0 104.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 59.96 36.69 21.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -127.33 -43.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -99.57 158.5 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.5 m -134.9 103.62 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 52' ' ' GLN . 59.2 mt -58.57 155.54 28.5 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.23 . . . . 0.0 112.368 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.41 3.63 58.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -116.13 107.92 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -56.76 -32.09 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 152.66 38.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -91.56 129.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -105.92 119.72 39.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 50' ' ' VAL . 41.5 t -131.08 120.83 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.494 ' N ' ' HE2' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -132.62 154.96 81.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.72 84.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.67 -60.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.75 124.45 24.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.1 t -123.03 135.51 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -109.93 -61.85 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -151.89 150.8 22.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -95.15 156.32 16.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.84 -133.04 4.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -144.41 130.81 19.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 134' ' ' GLY . 13.4 t -77.95 144.22 36.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 133' ' ' SER . . . 37.44 72.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.539 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -40.33 5.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 m -118.03 105.94 12.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 21.5 t -76.99 89.34 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -62.38 -30.53 71.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.55 31.38 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.93 177.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.568 HD11 ' HD2' ' A' ' 97' ' ' ARG . 32.2 mt -143.03 130.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HE2' ' CG ' ' A' ' 91' ' ' PHE . 36.9 tttt -92.3 103.58 16.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD22 HG12 ' A' ' 122' ' ' VAL . 51.9 mt -79.38 148.61 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -125.8 130.49 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 122' ' ' VAL . 88.9 t -107.75 133.91 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.04 32.62 4.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.531 ' H ' HG12 ' A' ' 50' ' ' VAL . 4.7 tp-100 -134.05 40.07 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 89' ' ' CYS . 37.4 mt -100.11 113.7 65.38 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -167.53 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 131.12 54.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.47 -16.18 9.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -103.21 177.25 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -153.35 -179.71 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.58 ' CG ' HG23 ' A' ' 77' ' ' VAL . 42.4 mt-10 -56.1 -21.85 24.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.26 -20.08 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.98 -13.29 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 68.0 mt -98.03 -28.9 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.0 mttp -56.22 -45.51 99.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.98 -50.08 12.57 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.94 -50.99 44.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.811 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.8 m-85 -60.91 -24.36 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -80.84 -2.49 47.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -82.58 -13.63 56.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 91.1 m-85 -108.13 -32.1 7.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.83 -171.46 44.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.13 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.811 HD11 ' HB2' ' A' ' 66' ' ' PHE . 71.3 mt -80.04 152.75 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.411 ' N ' HG22 ' A' ' 72' ' ' ILE . 45.9 t80 -105.64 -37.71 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -161.7 138.09 8.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.56 110.35 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -122.46 136.37 54.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.58 HG23 ' CG ' ' A' ' 59' ' ' GLU . 98.9 t -97.65 134.83 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 mt -86.33 123.46 31.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -130.78 144.99 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 6.1 m-20 -52.57 179.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.1 tmt_? -118.92 -62.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.9 -41.71 58.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.7 p -105.19 -40.06 5.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.28 15.09 72.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.9 mt -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -38.92 110.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CD ' ' OD1' ' A' ' 80' ' ' ASP . 2.7 mtmp? -60.37 -43.01 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.41 36.7 0.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.47 ' C ' HD12 ' A' ' 53' ' ' ILE . 2.9 p -161.91 161.82 28.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.38 156.79 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CG ' ' HE2' ' A' ' 47' ' ' LYS . 37.3 m-85 -103.65 123.17 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 66' ' ' PHE . 9.5 tp -113.37 131.54 55.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.8 m -121.08 140.02 52.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.456 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 9.5 m-85 -110.15 141.25 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.4 -27.71 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.81 157.25 26.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.568 ' HD2' HD11 ' A' ' 46' ' ' ILE . 5.0 tpp85 -67.19 -59.29 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.68 ' HA ' HD12 ' A' ' 101' ' ' LEU . 53.4 m-20 -46.46 -54.36 9.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 74.7 m -35.72 -46.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.02 62.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 98' ' ' ASP . 29.9 mt -50.27 -51.64 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ALA . 27.1 mtpp -62.44 -68.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.02 -31.87 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.63 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 t -75.63 -2.57 29.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.521 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.91 -23.67 14.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.28 -39.22 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -48.63 107.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 58.46 40.54 23.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -129.03 -45.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.02 159.95 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.8 m -134.25 94.2 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 52' ' ' GLN . 66.3 mt -51.81 155.13 3.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.93 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.32 2.49 47.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.4 mmt -116.82 105.52 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -51.84 -35.11 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -100.05 160.05 28.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.425 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.9 Cg_endo -69.71 177.18 5.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -87.13 131.78 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -102.7 120.25 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 50' ' ' VAL . 25.6 t -131.6 120.53 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -130.53 155.4 81.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 84.39 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -55.92 -31.65 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -111.64 39.28 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.37 179.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.6 mt -139.74 131.64 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -94.13 109.78 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.432 HD22 HG12 ' A' ' 122' ' ' VAL . 72.7 mt -82.65 140.35 33.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -119.42 126.04 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 52' ' ' GLN . 24.5 t -106.65 136.0 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.01 30.95 4.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.52 ' H ' HG12 ' A' ' 50' ' ' VAL . 8.1 tp-100 -133.29 40.7 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.504 HD12 ' C ' ' A' ' 89' ' ' CYS . 32.2 mt -102.78 112.45 65.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.99 6.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.348 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -94.92 118.01 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.81 -26.69 2.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.796 HD13 ' OD2' ' A' ' 61' ' ' ASP . 77.0 mt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.76 -175.24 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HG3' HG23 ' A' ' 77' ' ' VAL . 2.0 mp0 -57.14 -21.79 35.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.94 -20.0 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.796 ' OD2' HD13 ' A' ' 57' ' ' LEU . 26.5 t70 -100.15 -26.3 13.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 26.3 mt -91.95 -26.71 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.769 ' HG2' HD23 ' A' ' 75' ' ' LEU . 7.5 mmtp -55.17 -45.77 99.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.926 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.6 Cg_exo -47.95 -55.24 4.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.56 HD22 ' NZ ' ' A' ' 111' ' ' LYS . 83.1 mt -60.61 -51.51 69.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.0 m-85 -58.33 -25.16 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HG3' HD12 ' A' ' 72' ' ' ILE . 11.5 mt-10 -86.03 -3.39 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.41 -22.16 41.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 98.2 m-85 -100.55 -35.25 9.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.53 167.86 39.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -64.69 131.65 47.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 66' ' ' PHE . 23.0 mt -85.98 150.73 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -100.04 -37.3 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -170.48 137.45 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.769 HD23 ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp -130.26 119.17 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.2 m -133.66 123.07 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.781 HG11 ' NE2' ' A' ' 86' ' ' HIS . 91.2 t -86.98 133.02 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.026 HD11 ' CE2' ' A' ' 91' ' ' PHE . 23.9 mt -79.33 140.38 37.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -136.11 167.89 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -176.99 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -119.24 -49.83 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.4 -42.2 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.2 p -105.02 -14.24 15.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 54.01 24.73 28.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.26 168.27 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.781 ' NE2' HG11 ' A' ' 77' ' ' VAL . 20.5 t-80 -70.33 109.06 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -60.91 -51.2 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.05 42.57 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.504 ' C ' HD12 ' A' ' 53' ' ' ILE . 7.8 p -170.41 164.38 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -153.98 155.28 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 1.026 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.2 m-85 -105.59 111.77 24.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.631 HD22 ' CD1' ' A' ' 66' ' ' PHE . 14.7 tp -99.97 133.66 44.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 m -121.68 127.23 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.482 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 15.0 m-85 -102.27 147.43 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 p -62.21 -34.67 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.62 -177.67 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -32.44 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.5 ' HA ' HD12 ' A' ' 101' ' ' LEU . 21.0 m-20 -66.68 -49.93 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m -48.88 -42.91 38.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -64.59 -56.63 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 98' ' ' ASP . 27.0 mt -44.19 -49.5 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -59.69 -69.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.66 -29.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.17 -54.03 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 t -79.75 -7.08 58.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.4 -20.19 16.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' A' ' 111' ' ' LYS . 86.1 mt -109.09 -48.97 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -42.25 108.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 54.8 41.1 32.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -131.49 -44.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.56 ' NZ ' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -100.07 174.44 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.2 m -152.4 108.88 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.83 157.8 78.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.85 4.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.09 26.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.9 mmt -106.4 117.15 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -91.34 158.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.8 tt -88.53 127.09 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.67 121.5 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 50' ' ' VAL . 17.3 t -132.48 124.48 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -136.05 152.37 75.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -55.85 -40.36 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -107.77 35.96 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.7 172.89 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.2 mt -135.64 148.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -105.21 105.74 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -79.96 137.59 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 89' ' ' CYS . 11.6 t80 -118.54 126.69 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.894 HG22 HG22 ' A' ' 122' ' ' VAL . 60.6 t -105.61 133.22 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.74 32.36 4.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' H ' HG12 ' A' ' 50' ' ' VAL . 35.6 tp60 -133.54 40.84 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 mt -106.3 113.5 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -165.6 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -104.06 136.66 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.85 -24.32 9.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 mt -101.66 156.9 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -134.25 -177.55 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB3' HD23 ' A' ' 75' ' ' LEU . 36.9 mp0 -53.06 -28.43 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.72 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.49 -15.17 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.97 -27.32 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 22.5 ttmt -54.92 -45.21 99.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.92 -55.17 4.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.63 -50.69 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' A' ' 92' ' ' LEU . 23.5 m-85 -62.3 -24.51 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -83.25 -0.06 47.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.22 -17.44 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 87.9 m-85 -103.93 -41.71 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.19 -174.94 39.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -81.12 130.69 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 73' ' ' TYR . 21.6 mt -77.4 160.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.542 ' N ' HG22 ' A' ' 72' ' ' ILE . 24.5 t80 -115.71 -37.97 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -163.99 117.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' A' ' 59' ' ' GLU . 20.1 tp -116.75 119.14 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -134.68 136.4 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.3 t -97.09 137.16 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.61 HD11 ' CE2' ' A' ' 91' ' ' PHE . 26.9 mt -89.83 130.94 36.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -138.27 155.47 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -53.43 177.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.538 ' CG ' HD12 ' A' ' 82' ' ' LEU . 19.1 ptt-85 -116.09 -43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.538 HD12 ' CG ' ' A' ' 81' ' ' ARG . 5.3 mp -68.63 -43.72 75.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.1 p -102.13 -45.13 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.8 27.59 34.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.49 135.61 38.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.19 100.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -58.99 -44.15 91.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 125.7 42.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 1.6 p -166.75 159.3 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.32 147.04 24.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.0 m-85 -97.3 110.91 23.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 66' ' ' PHE . 14.7 tp -100.08 134.56 42.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 m -123.95 125.29 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.48 ' CE2' HD21 ' A' ' 92' ' ' LEU . 14.0 m-85 -99.06 154.99 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.3 -46.82 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.08 175.55 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -84.67 -42.77 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.825 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.8 t0 -57.43 -57.75 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' ASP . 12.9 m -37.66 -45.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.35 86.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.1 mt -57.27 -48.39 79.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -58.76 -67.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . . . -51.89 -39.03 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -57.77 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -77.28 -7.42 55.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -96.94 -17.83 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 mt -113.53 -39.34 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -50.54 107.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 59.06 38.94 23.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -128.89 -44.51 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -100.02 154.52 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 112' ' ' THR . 22.1 m -134.82 91.76 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 39.9 mt -46.79 155.43 0.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 112.02 2.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.18 0.85 33.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -115.85 105.52 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.23 -32.22 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -100.0 154.36 37.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.56 5.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -87.69 127.34 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.79 119.74 39.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.894 HG22 HG22 ' A' ' 50' ' ' VAL . 43.9 t -130.07 120.98 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -131.19 153.2 81.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.76 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.732 2.288 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -71.46 -34.8 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.91 36.62 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.82 178.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.18 149.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 20.5 tttt -109.72 107.11 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.752 HD22 HG12 ' A' ' 122' ' ' VAL . 31.2 mt -78.78 143.52 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -124.56 120.4 31.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.873 HG22 HG22 ' A' ' 122' ' ' VAL . 48.8 t -101.74 133.33 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -124.98 28.54 5.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 113' ' ' LEU . 1.3 mp0 -130.64 43.82 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mt -105.18 112.33 65.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD2' HD13 ' A' ' 113' ' ' LEU . 54.1 Cg_endo -69.79 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.635 2.224 . . . . 0.0 112.356 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -105.23 117.11 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.67 2.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 mt -100.76 158.42 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.76 -179.35 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 77' ' ' VAL . 20.4 mt-10 -54.13 -20.03 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -78.03 -25.61 47.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 -9.61 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 70.7 mt -96.09 -31.0 13.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 26.2 mtpt -52.46 -45.71 95.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -54.45 5.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.65 -54.53 38.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.883 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.5 m-85 -60.07 -23.38 63.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.24 -0.88 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -85.99 -15.68 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.461 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 81.2 m-85 -110.16 -57.55 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -145.54 -179.34 21.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -81.73 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.883 HD11 ' HB2' ' A' ' 66' ' ' PHE . 95.4 mt -82.0 137.53 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.6 t80 -100.03 -34.29 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -165.07 127.76 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tp -128.98 119.86 25.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -136.9 139.29 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 90' ' ' ALA . 18.5 t -100.6 149.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.5 mt -98.32 129.31 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -120.48 179.15 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -179.25 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -108.49 -25.59 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.23 -42.68 8.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -107.81 -19.8 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.424 ' C ' ' HB3' ' A' ' 79' ' ' LYS . . . 55.67 33.54 59.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.425 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 86' ' ' HIS . 47.6 mt -94.93 135.03 36.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.484 ' CD2' HG11 ' A' ' 77' ' ' VAL . 14.7 t-80 -34.85 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.64 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.84 43.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.7 163.52 12.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -158.62 147.78 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CE2' HD11 ' A' ' 78' ' ' LEU . 18.9 m-85 -98.12 115.96 29.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.556 HD22 ' CD1' ' A' ' 66' ' ' PHE . 20.2 tp -102.98 133.36 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -122.89 118.21 27.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -93.89 149.57 21.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 81.5 m -63.87 -40.81 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.11 177.85 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -89.54 -41.33 12.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.63 ' HA ' HD12 ' A' ' 101' ' ' LEU . 5.9 t0 -61.67 -53.38 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.9 m -40.65 -35.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.07 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 98' ' ' ASP . 16.8 mt -45.75 -46.42 15.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -63.55 -69.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.33 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.1 -52.61 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.9 t -79.72 -6.29 56.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.461 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -98.14 -25.63 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.69 -46.15 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -45.69 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.81 39.47 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -130.78 -44.31 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -97.0 157.03 16.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.0 m -134.75 94.62 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 52' ' ' GLN . 41.5 mt -55.58 156.87 8.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.36 9.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 98.85 -6.59 60.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -109.48 107.42 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -53.3 -34.24 56.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -98.59 161.22 25.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -102.86 133.1 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.78 119.65 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.873 HG22 HG22 ' A' ' 50' ' ' VAL . 28.5 t -131.5 116.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.409 ' CB ' ' NZ ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -128.78 153.88 79.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.71 88.15 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.457 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 7.9 p80 -64.61 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.75 37.61 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.95 179.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.7 mt -139.72 136.47 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -99.93 108.0 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 104' ' ' GLN . 76.8 mt -77.83 139.39 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -117.79 121.62 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.056 HG22 HG22 ' A' ' 122' ' ' VAL . 60.8 t -102.34 136.93 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.02 33.4 2.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 77.1 mm-40 -133.52 41.65 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 mt -110.15 115.0 55.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -173.37 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -99.99 117.33 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.11 -31.51 1.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' ' 61' ' ' ASP . 35.8 mt -100.61 173.92 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -146.69 -175.05 4.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.65 -20.82 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -74.86 -12.96 60.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' ' 57' ' ' LEU . 13.6 t0 -110.17 -15.96 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 65.2 mt -92.53 -35.35 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 mtpm? -50.43 -45.83 84.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.0 Cg_exo -47.94 -55.5 3.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.626 2.218 . . . . 0.0 112.376 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.94 -50.97 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.725 ' HB2' HD11 ' A' ' 72' ' ' ILE . 26.5 m-85 -61.57 -24.64 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.37 -2.74 50.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.65 -23.26 42.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 90.9 m-85 -100.17 -44.03 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.39 161.61 33.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -54.89 141.12 34.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 66' ' ' PHE . 44.9 mt -91.7 153.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' N ' HG22 ' A' ' 72' ' ' ILE . 28.9 t80 -101.35 -37.45 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -173.86 136.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 tp -131.38 125.65 33.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -135.36 139.04 43.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 90' ' ' ALA . 86.6 t -102.06 127.12 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.508 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -75.45 131.63 40.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -134.1 161.98 33.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.88 178.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -115.39 -38.65 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.8 -34.24 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.2 p -107.8 -36.14 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.18 27.55 68.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.2 mt -97.31 172.81 7.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.31 109.75 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -62.91 -50.36 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.81 42.42 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 5.9 p -173.05 162.46 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -152.84 143.93 23.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.1 m-85 -92.79 111.81 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.74 HD21 ' CE2' ' A' ' 94' ' ' TYR . 17.5 tp -101.71 136.39 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -127.74 115.21 18.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.74 ' CE2' HD21 ' A' ' 92' ' ' LEU . 14.8 m-85 -87.94 152.25 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -67.3 -41.88 84.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.74 162.39 16.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -70.3 -47.15 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 101' ' ' LEU . 2.0 m-20 -51.39 -60.16 3.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.1 m -42.48 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.55 -52.12 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 98' ' ' ASP . 16.9 mt -52.3 -49.16 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 106' ' ' ALA . 37.0 mtpt -60.04 -67.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.79 -40.58 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.405 ' HB2' HD21 ' A' ' 48' ' ' LEU . 4.8 tt0 -61.09 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -73.93 -3.54 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -97.01 -29.08 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.7 mt -104.24 -40.27 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -46.94 111.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 54.66 40.99 32.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.418 ' CD ' ' O ' ' A' ' 106' ' ' ALA . 3.5 tt0 -130.34 -44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -98.18 174.85 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.5 m -155.81 106.46 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.58 155.31 50.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 105.52 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 110.52 18.97 8.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 14.7 mmm -128.31 113.97 16.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -59.11 -36.09 74.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -99.25 153.14 37.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.73 2.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.462 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.8 tt -88.02 131.57 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -108.74 119.74 40.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 1.056 HG22 HG22 ' A' ' 50' ' ' VAL . 40.9 t -132.05 118.68 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -127.6 150.16 72.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.77 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 1.3 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 44' ' ' ASP . 17.0 p80 -49.47 -35.81 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 8.6 p-10 -111.15 31.45 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 42' ' ' ASP . . . -67.55 177.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 47' ' ' LYS . 33.7 mt -134.45 161.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.535 ' N ' HG22 ' A' ' 46' ' ' ILE . 25.7 tttt -115.38 108.46 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.16 140.09 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -124.73 126.21 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 122' ' ' VAL . 15.6 t -103.31 139.13 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.85 29.91 3.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.504 ' H ' HG12 ' A' ' 50' ' ' VAL . 15.7 tp60 -132.78 40.41 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 90' ' ' ALA . 34.6 mt -102.02 113.72 65.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 ptt-85 -108.37 136.63 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.71 14.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.573 HD22 ' OD2' ' A' ' 61' ' ' ASP . 79.5 mt -100.97 169.18 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.937 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -143.76 179.31 7.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.666 ' HG3' HG23 ' A' ' 77' ' ' VAL . 26.5 mt-10 -56.73 -20.7 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -76.56 -22.93 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.573 ' OD2' HD22 ' A' ' 57' ' ' LEU . 17.8 t70 -92.25 -17.03 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 67.7 mt -95.26 -30.04 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.3 mtpt -55.71 -45.57 99.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.8 Cg_exo -47.97 -48.02 17.48 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.74 -53.92 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' HD22 ' A' ' 92' ' ' LEU . 21.9 m-85 -58.64 -24.82 61.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.78 -1.27 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -87.13 -18.52 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 103' ' ' ALA . 78.7 m-85 -100.52 -47.19 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.92 -170.48 32.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -83.64 122.11 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 66' ' ' PHE . 26.7 mt -70.54 142.93 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -101.08 -34.05 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -162.33 133.35 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.572 HD23 ' HG3' ' A' ' 63' ' ' LYS . 12.0 tp -138.54 120.03 14.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.5 m -140.15 139.16 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.666 HG23 ' HG3' ' A' ' 59' ' ' GLU . 96.1 t -94.79 132.4 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 91' ' ' PHE . 15.9 mt -79.4 122.89 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -126.44 165.45 19.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.77 178.01 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.6 mmm180 -114.31 -51.45 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mp -72.85 -38.08 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.4 p -102.6 -31.78 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.25 25.0 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' HIS . 86.7 mt -96.98 128.55 44.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.492 ' NE2' HG11 ' A' ' 77' ' ' VAL . 38.7 t-80 -35.32 105.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -59.07 -46.75 87.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.04 42.3 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 p -166.87 167.45 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' ILE . . . -158.94 151.1 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.51 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.4 m-85 -101.16 113.72 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.575 HD22 ' CE1' ' A' ' 66' ' ' PHE . 25.7 tp -106.36 134.74 49.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 m -124.36 140.58 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.1 m-85 -111.62 140.76 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.8 p -58.95 -42.3 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.19 149.4 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -57.41 -59.88 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.627 ' HA ' HD12 ' A' ' 101' ' ' LEU . 5.8 t70 -41.43 -61.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.4 m -39.17 -40.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.87 -47.07 69.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.7 mt -57.5 -47.01 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 5.9 mtpm? -59.35 -68.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB2' ' CG ' ' A' ' 69' ' ' PHE . . . -51.27 -31.0 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.25 -60.82 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.412 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 5.2 t -78.34 -4.99 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.22 -18.01 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 69' ' ' PHE . 90.5 mt -113.15 -44.63 3.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.49 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 75.7 t60 -44.64 108.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 56.61 40.86 29.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 1.5 mp0 -129.21 -45.23 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -100.0 179.44 4.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 17.7 m -154.04 108.87 3.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.48 156.94 87.39 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.16 5.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 109.66 -14.99 32.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.8 mmt -104.8 125.44 50.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.97 -33.46 73.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.65 161.29 26.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.66 4.36 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.456 HG12 HG23 ' A' ' 122' ' ' VAL . 1.7 tt -87.13 134.17 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -105.92 120.94 43.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 50' ' ' VAL . 23.4 t -134.64 115.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -130.35 155.05 81.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t70 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -58.82 -38.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -109.19 36.34 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.44 174.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.7 mt -141.99 135.04 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -94.1 123.57 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.82 HD22 HG12 ' A' ' 122' ' ' VAL . 34.8 mt -93.47 122.04 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -105.02 126.73 52.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 122' ' ' VAL . 21.8 t -106.04 132.36 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.59 36.27 2.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.548 ' O ' HD12 ' A' ' 113' ' ' LEU . 75.6 mm-40 -134.59 41.19 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.412 HD13 HD11 ' A' ' 62' ' ' LEU . 40.5 mt -107.63 116.75 57.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.8 Cg_endo -69.75 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -109.24 118.79 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.23 -27.56 2.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.3 mt -99.93 171.12 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -142.7 -174.99 4.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' CD ' ' CG2' ' A' ' 77' ' ' VAL . 6.2 mm-40 -58.67 -20.07 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -68.81 -19.55 64.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 t70 -99.2 -21.5 16.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 57.7 mt -90.45 -37.93 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mmmp? -47.48 -46.98 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.526 0.679 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.0 Cg_exo -48.01 -55.04 4.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD21 ' HE3' ' A' ' 111' ' ' LYS . 27.8 mt -62.97 -50.36 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.791 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.0 m-85 -59.61 -25.37 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.42 -0.16 55.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -88.18 -20.84 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.06 -42.53 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.52 175.01 46.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.13 135.5 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.791 HD11 ' HB2' ' A' ' 66' ' ' PHE . 43.9 mt -87.9 156.39 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.479 ' N ' HG22 ' A' ' 72' ' ' ILE . 16.3 t80 -108.45 -49.96 3.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -145.11 138.82 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.418 ' HG ' ' CD ' ' A' ' 59' ' ' GLU . 28.4 tp -142.68 121.33 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -144.5 130.89 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG2' ' CD ' ' A' ' 59' ' ' GLU . 26.0 t -84.55 136.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD11 ' CE2' ' A' ' 91' ' ' PHE . 14.3 mt -90.32 128.28 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -126.52 177.56 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.12 169.12 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -108.39 -45.16 3.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.21 -37.63 57.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.7 p -100.05 -46.09 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.7 17.56 59.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 mt -89.96 149.17 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -54.8 100.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -55.52 -48.06 75.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.2 40.5 0.44 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 3.3 m -156.81 161.5 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.05 141.27 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CE2' HD11 ' A' ' 78' ' ' LEU . 7.2 m-85 -95.07 113.64 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.512 HD22 ' CD1' ' A' ' 66' ' ' PHE . 19.4 tp -109.07 138.59 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -129.0 122.37 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.73 139.76 31.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.6 m -55.22 -48.39 73.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.84 161.7 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.8 ptm180 -77.56 -41.06 40.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 1.1 m-20 -56.73 -53.01 62.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 m -48.73 -35.46 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -52.74 28.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.6 mt -47.84 -53.46 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 106' ' ' ALA . 41.7 mttm -55.29 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.45 -30.39 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.77 -63.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -76.41 -2.69 33.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -96.32 -26.92 15.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.3 mt -108.07 -39.51 5.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -48.34 110.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 55.44 41.7 30.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -130.39 -45.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.535 ' HE3' HD21 ' A' ' 65' ' ' LEU . 4.6 tptp -99.25 158.74 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 m -134.8 92.88 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 52' ' ' GLN . 48.8 mt -42.38 155.81 0.25 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.07 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.8 -0.36 39.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 39.5 mmm -106.97 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -52.79 -34.32 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.79 155.52 36.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -171.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.4 tt -95.91 136.19 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.73 119.66 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 50' ' ' VAL . 47.7 t -132.11 115.55 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -124.2 150.5 63.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.698 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.8 Cg_endo -69.8 80.57 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 97' ' ' ARG . 18.8 p-10 -114.14 36.8 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.1 mt -142.71 135.29 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 49.4 tttp -98.08 102.61 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 HG12 ' A' ' 122' ' ' VAL . 54.8 mt -76.93 148.84 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -128.14 126.85 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 122' ' ' VAL . 92.2 t -107.91 128.66 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.51 34.12 3.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 80.4 mm-40 -134.34 41.19 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.548 HD13 HD11 ' A' ' 62' ' ' LEU . 33.0 mt -107.38 113.94 61.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.92 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.27 133.91 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.01 -26.61 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.758 HD22 ' OD2' ' A' ' 61' ' ' ASP . 48.6 mt -99.97 162.43 12.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -136.27 -175.37 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.601 ' CG ' HG23 ' A' ' 77' ' ' VAL . 22.4 mt-10 -58.16 -18.31 24.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -80.81 -16.22 54.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.758 ' OD2' HD22 ' A' ' 57' ' ' LEU . 8.1 t70 -96.98 -23.18 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 HD13 ' A' ' 53' ' ' ILE . 79.0 mt -92.1 -25.54 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.3 tttt -55.1 -45.34 99.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.5 Cg_exo -47.94 -55.63 3.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.93 -52.85 63.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.835 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.9 m-85 -58.06 -26.27 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.49 -4.39 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -79.98 -21.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 88.3 m-85 -105.01 -45.79 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 171.63 40.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -69.72 134.08 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.835 HD11 ' HB2' ' A' ' 66' ' ' PHE . 42.7 mt -82.25 144.95 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.7 t80 -100.0 -30.95 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -172.05 137.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 tp -133.42 121.3 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -129.26 137.35 51.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' CG ' ' A' ' 59' ' ' GLU . 96.6 t -102.14 136.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -85.59 128.26 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -136.43 149.71 48.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.35 170.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -111.68 -40.01 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.47 -35.71 53.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.2 p -100.96 -33.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.77 21.03 79.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.6 164.38 13.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' NE2' HG11 ' A' ' 77' ' ' VAL . 6.3 t-80 -72.78 99.88 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -51.28 -50.77 58.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.93 40.22 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -155.01 163.6 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.07 138.01 6.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.531 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 45.3 m-85 -92.77 119.89 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.752 HD22 ' CD1' ' A' ' 66' ' ' PHE . 34.2 tp -103.79 135.96 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.8 m -127.33 118.24 23.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.455 ' CE2' HD21 ' A' ' 92' ' ' LEU . 20.5 m-85 -94.84 144.79 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.13 -38.66 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.7 176.26 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -89.85 -34.26 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 11.3 t0 -61.69 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.5 m -40.49 -37.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 104' ' ' GLN . . . -67.87 -50.69 54.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.4 mt -57.62 -47.0 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 24.2 mtmt -60.71 -68.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -36.7 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 100' ' ' ALA . 4.4 tt0 -61.43 -64.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.6 m -74.24 -4.78 38.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.33 -22.1 16.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.5 mt -108.59 -40.44 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -49.79 108.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 56.97 40.25 28.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -128.08 -45.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -100.16 159.42 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 55.1 m -134.13 96.77 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.3 mt -53.32 156.41 4.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.48 0.78 62.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -114.13 108.73 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -56.62 -32.35 65.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.45 ' NE ' ' HD2' ' A' ' 119' ' ' PRO . 15.4 mmm180 -99.92 156.28 35.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HD2' ' NE ' ' A' ' 118' ' ' ARG . 53.8 Cg_endo -69.74 -176.63 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 5.0 tt -90.65 138.58 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 mp0 -111.49 119.59 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 50' ' ' VAL . 42.2 t -131.53 125.78 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -137.43 154.42 75.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.72 84.0 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.28 . . . . 0.0 112.38 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -64.43 -18.28 64.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.3 27.74 7.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 179.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -142.38 138.87 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -101.14 121.53 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.6 136.42 33.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -118.9 117.23 28.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 122' ' ' VAL . 47.0 t -97.44 134.64 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.41 30.28 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.518 ' H ' HG12 ' A' ' 50' ' ' VAL . 4.8 tp-100 -131.78 42.44 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.53 HD12 ' C ' ' A' ' 89' ' ' CYS . 21.1 mt -100.5 113.68 65.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.45 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -104.41 118.37 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.1 -17.25 4.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -101.9 164.15 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -141.09 -176.33 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.511 ' HG3' HG23 ' A' ' 77' ' ' VAL . 21.8 mt-10 -59.99 -19.13 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -82.53 -9.26 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -107.1 -18.37 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 82.3 mt -96.09 -19.05 19.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 tttp -63.78 -45.21 81.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -48.0 -50.65 11.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.695 HD22 ' NZ ' ' A' ' 111' ' ' LYS . 94.0 mt -66.33 -49.36 67.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 17.0 m-85 -64.27 -22.61 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.6 -0.18 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.14 -18.4 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -100.94 -42.92 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.64 -178.91 44.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -71.89 134.91 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 66' ' ' PHE . 64.8 mt -81.47 159.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.533 ' N ' HG22 ' A' ' 72' ' ' ILE . 6.2 t80 -114.47 -38.07 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -169.22 126.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.14 120.6 33.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.0 m -135.98 139.08 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 59' ' ' GLU . 72.3 t -97.13 135.2 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.407 HD21 ' CE2' ' A' ' 91' ' ' PHE . 40.6 mt -84.91 133.19 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -136.13 151.04 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.67 -179.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -115.69 -39.2 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.3 -37.15 53.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.9 p -107.89 -13.72 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 48.12 25.7 4.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -96.0 160.11 14.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -62.53 102.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -61.42 -39.08 89.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.07 41.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.53 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -160.5 155.58 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB3' HD11 ' A' ' 53' ' ' ILE . . . -150.14 142.63 24.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.407 ' CE2' HD21 ' A' ' 78' ' ' LEU . 7.2 m-85 -94.29 111.06 22.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 tp -103.0 138.56 39.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -124.18 139.7 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -114.52 137.61 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 96' ' ' ALA . 3.1 p -62.67 -40.56 97.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' N ' ' SG ' ' A' ' 95' ' ' CYS . . . -94.95 177.37 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -97.78 -32.15 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.0 p-10 -71.85 -48.53 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.3 m -40.15 -47.83 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.0 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 98' ' ' ASP . 21.9 mt -54.04 -48.16 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -62.86 -69.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.17 -25.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.96 -65.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.8 t -71.28 -4.67 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.02 -21.24 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 92.2 mt -110.6 -47.62 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -41.45 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 54.76 41.47 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.89 -44.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.695 ' NZ ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -100.0 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -146.43 105.59 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.98 155.48 63.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.56 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.44 -7.31 26.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -111.78 109.49 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.16 -34.49 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -94.0 155.84 39.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.6 Cg_endo -69.8 175.38 8.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.418 HG12 HG23 ' A' ' 122' ' ' VAL . 2.9 tt -86.65 125.82 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.23 119.88 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 50' ' ' VAL . 34.3 t -129.37 118.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -124.14 147.36 54.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.8 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 4.7 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -66.12 -29.93 70.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.95 28.51 8.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 42' ' ' ASP . . . -65.25 178.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 mt -121.08 134.02 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 32.6 tttt -94.79 104.7 16.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.604 HD22 HG12 ' A' ' 122' ' ' VAL . 31.6 mt -77.14 138.75 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 89' ' ' CYS . 24.9 t80 -122.04 123.24 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.63 133.0 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.48 31.67 3.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 15.7 mm100 -134.13 39.25 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.4 116.13 63.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -105.48 120.96 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.36 -23.23 3.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.3 164.35 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.46 -174.99 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.507 ' HG3' HG23 ' A' ' 77' ' ' VAL . 25.5 mp0 -56.46 -22.9 35.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.58 -18.88 60.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.98 -15.26 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 61.2 mt -95.88 -33.94 12.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.663 ' HG2' HD13 ' A' ' 72' ' ' ILE . 11.7 mtmm -52.68 -45.53 96.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -47.93 -50.35 11.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.5 -50.84 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.868 ' HB2' HD11 ' A' ' 72' ' ' ILE . 25.9 m-85 -58.58 -24.11 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -82.62 -0.01 45.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.53 -20.44 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.506 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 89.5 m-85 -108.41 -47.57 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -156.16 174.11 34.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -79.67 127.28 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.868 HD11 ' HB2' ' A' ' 66' ' ' PHE . 28.7 mt -71.39 152.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -118.89 -48.53 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -142.99 119.55 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 tp -128.51 123.91 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -142.89 118.52 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 59' ' ' GLU . 91.3 t -76.71 132.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 91' ' ' PHE . 28.6 mt -79.84 129.44 34.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.57 149.55 43.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.21 -177.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.656 ' CG ' HD12 ' A' ' 82' ' ' LEU . 8.0 ptp180 -120.78 -43.11 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 81' ' ' ARG . 5.4 mp -71.51 -33.68 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 -33.76 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.51 76.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.28 170.1 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -79.29 93.87 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -50.53 -45.08 56.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.43 40.88 0.41 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 4.3 m -156.2 163.47 39.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.58 144.59 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 78' ' ' LEU . 22.2 m-85 -98.79 114.55 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.622 HD22 ' CD1' ' A' ' 66' ' ' PHE . 15.4 tp -106.33 143.82 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.8 m -131.8 123.32 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.555 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 11.8 m-85 -95.67 123.17 39.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.1 p -35.21 -39.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.32 165.47 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 16.1 ptt-85 -76.32 -38.12 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 101' ' ' LEU . 32.0 m-20 -59.74 -54.81 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.555 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 29.5 m -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 94' ' ' TYR . . . -69.77 -56.69 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.045 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 98' ' ' ASP . 24.4 mt -43.27 -49.24 6.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -61.84 -70.07 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.11 -27.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.79 -58.49 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -77.73 -6.14 53.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.506 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -99.78 -20.51 16.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.074 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.2 mt -110.55 -40.43 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.483 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 69.5 t60 -50.35 102.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 63.88 37.78 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 2.2 mp0 -126.96 -44.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.04 159.05 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 83.0 m -134.64 98.02 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.7 mt -50.21 153.6 2.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 109.66 2.37 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.16 7.7 32.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 29.3 mmm -118.24 115.69 25.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.11 -37.03 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -99.89 158.19 32.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.95 2.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.3 tt -91.02 141.3 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -112.09 119.81 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.604 HG12 HD22 ' A' ' 48' ' ' LEU . 21.7 t -131.74 117.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -130.77 152.84 81.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.11 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.854 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.895 0.379 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -64.97 -27.09 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -113.42 28.01 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 178.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -141.26 144.03 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -105.81 115.37 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.0 mt -85.51 142.94 28.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 42.8 t80 -123.0 132.21 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.48 132.5 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.61 28.81 5.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' O ' HD12 ' A' ' 113' ' ' LEU . 60.2 mm-40 -134.42 37.7 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mt -101.71 113.36 65.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.583 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.7 Cg_endo -69.72 -172.74 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -102.44 118.22 36.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.9 -28.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.7 mt -99.93 176.65 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.952 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -145.49 -176.27 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HB3' HD23 ' A' ' 75' ' ' LEU . 14.3 mt-10 -60.68 -23.74 65.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -71.84 -24.5 61.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.8 t70 -91.27 -21.78 20.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.76 -25.79 18.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.701 ' HG3' HD12 ' A' ' 72' ' ' ILE . 28.4 tttp -55.23 -45.78 99.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.0 -55.51 3.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' HE2' ' A' ' 111' ' ' LYS . 87.0 mt -60.18 -56.35 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.606 ' HB2' HD11 ' A' ' 72' ' ' ILE . 25.7 m-85 -57.34 -28.17 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.93 -6.2 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.15 -14.1 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -110.27 -34.26 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.66 175.89 47.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -78.75 125.81 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.701 HD12 ' HG3' ' A' ' 63' ' ' LYS . 60.0 mt -70.13 150.09 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -104.92 -32.98 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -166.01 126.6 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' A' ' 59' ' ' GLU . 12.2 tp -128.08 120.51 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 90' ' ' ALA . 37.1 t -91.67 139.61 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -89.83 120.3 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -128.32 154.05 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.99 176.72 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -118.67 -43.72 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.88 -42.94 76.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.6 p -100.26 -33.02 10.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.59 21.31 77.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.86 148.57 22.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -56.45 103.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -50.41 -51.39 46.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.66 42.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 2.0 p -171.66 162.38 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -155.4 148.59 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.77 117.58 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.455 HD22 ' CE1' ' A' ' 66' ' ' PHE . 17.8 tp -109.84 138.89 45.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -126.24 130.29 50.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 9.6 m-85 -101.99 149.14 24.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.7 m -70.88 -39.17 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.87 160.62 15.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -33.36 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 101' ' ' LEU . 4.5 t70 -73.04 -52.19 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -40.07 -44.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.59 -53.13 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 98' ' ' ASP . 29.8 mt -47.44 -53.25 14.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -56.24 -67.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.33 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.78 -52.97 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 t -80.11 -6.47 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.37 -21.0 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.31 -45.67 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -47.04 111.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 53.55 40.34 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.78 -44.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.43 ' HE2' HD22 ' A' ' 65' ' ' LEU . 5.8 mmtm -98.96 171.23 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.3 m -147.11 107.09 3.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 52' ' ' GLN . 63.1 mt -62.77 154.45 75.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.664 0.745 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 108.12 2.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.85 6.87 24.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.1 mmt -119.64 114.05 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -56.16 -37.86 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 162.04 22.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.49 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -95.3 144.15 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.429 ' NE2' ' HG3' ' A' ' 52' ' ' GLN . 2.4 mp0 -113.37 119.85 39.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.4 t -130.38 115.9 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -125.39 155.33 71.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -58.27 -38.24 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -108.33 38.0 2.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mt -144.1 127.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.529 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 29.2 tttt -87.36 101.85 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.56 140.33 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.15 124.4 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.797 HG22 HG22 ' A' ' 122' ' ' VAL . 51.8 t -103.21 135.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.46 31.5 3.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.614 ' O ' HD12 ' A' ' 113' ' ' LEU . 91.4 mm-40 -134.36 40.43 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.712 HD13 HD11 ' A' ' 62' ' ' LEU . 44.9 mt -104.5 119.05 55.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.4 Cg_endo -69.78 -178.76 2.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HD3' HD22 ' A' ' 85' ' ' LEU . 27.6 ttm180 -96.72 117.33 30.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.75 -21.06 2.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.93 151.32 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.3 -175.05 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.89 -33.73 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.02 -21.07 62.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.1 m-20 -87.13 -28.92 22.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 53' ' ' ILE . 88.3 mt -89.34 -36.66 15.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.5 mttt -46.99 -47.21 54.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -47.96 -48.4 16.39 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.58 -57.52 8.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.728 ' HB2' HD11 ' A' ' 72' ' ' ILE . 29.8 m-85 -57.63 -27.18 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG2' HD12 ' A' ' 72' ' ' ILE . 7.5 mm-40 -79.19 -2.22 39.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.72 -19.61 44.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 95.4 m-85 -105.99 -49.73 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.43 164.78 31.18 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -68.9 112.11 5.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 66' ' ' PHE . 43.0 mt -58.8 149.99 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -104.13 -34.54 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -175.2 121.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.48 130.64 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -139.97 112.25 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 89' ' ' CYS . 5.1 p -89.17 126.52 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.0 141.88 45.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -139.68 144.15 37.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.2 t70 -41.44 161.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -108.23 -36.5 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.78 -40.46 61.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -102.2 -33.73 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.79 25.56 57.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.482 HD22 ' HD3' ' A' ' 55' ' ' ARG . 13.9 mt -97.47 172.59 7.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.544 ' NE2' HG21 ' A' ' 77' ' ' VAL . 17.7 t-80 -68.34 112.13 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 5.8 mtpm? -63.64 -54.03 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.11 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.567 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.9 p -174.28 163.39 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -161.17 145.18 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.529 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 22.6 m-85 -96.36 109.08 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.685 HD22 ' CD1' ' A' ' 66' ' ' PHE . 12.4 tp -99.51 138.48 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.6 m -123.52 123.37 40.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.624 ' CE2' HD21 ' A' ' 92' ' ' LEU . 15.2 m-85 -98.96 138.06 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.37 -42.01 94.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.617 ' HB1' ' OD1' ' A' ' 98' ' ' ASP . . . -108.08 140.94 40.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptt180 -61.13 -29.1 69.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.617 ' OD1' ' HB1' ' A' ' 96' ' ' ALA . 4.0 p-10 -69.45 -56.86 6.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -43.83 -35.47 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -69.39 -50.43 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 98' ' ' ASP . 18.9 mt -51.83 -46.95 64.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 106' ' ' ALA . 81.2 mttt -61.76 -67.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.28 -38.09 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 5.0 tt0 -64.74 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.469 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 23.0 t -74.73 -4.63 38.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.56 -26.32 14.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.01 -41.94 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 57.0 t60 -47.41 107.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 56.56 37.87 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 105' ' ' SER . 1.4 mp0 -129.66 -44.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -100.02 158.82 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.0 m -134.9 100.88 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 52' ' ' GLN . 42.3 mt -51.15 154.53 2.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.32 17.24 14.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.9 mmm -125.76 120.2 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -63.76 -35.86 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 80.3 mtm-85 -98.93 155.89 36.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.86 3.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.426 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 13.6 tt -88.92 135.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.408 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 31.3 mt-30 -109.4 119.72 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.797 HG22 HG22 ' A' ' 50' ' ' VAL . 44.4 t -130.88 126.54 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 151.51 76.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -68.35 -35.61 78.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -108.76 37.77 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.47 -179.0 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 47' ' ' LYS . 38.8 mt -138.96 154.54 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 46' ' ' ILE . 19.7 tptt -105.47 122.26 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 94' ' ' TYR . 60.2 mt -95.24 134.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 122' ' ' VAL . 11.0 t -103.62 132.31 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.4 34.36 3.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.612 ' O ' HD12 ' A' ' 113' ' ' LEU . 27.2 mm100 -134.53 40.54 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.1 mt -106.33 113.76 62.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.5 Cg_endo -69.77 -179.59 3.02 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -95.32 117.31 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 -30.63 1.84 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.95 166.61 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.59 -176.17 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.713 ' HG3' HG23 ' A' ' 77' ' ' VAL . 21.4 mp0 -57.38 -22.78 44.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.23 -14.64 60.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-20 -103.97 -20.84 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 74.3 mt -91.07 -33.32 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 6.4 ttmm -49.85 -45.96 80.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.93 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -48.01 -53.86 6.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD22 ' HE2' ' A' ' 111' ' ' LYS . 51.6 mt -65.09 -54.11 35.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' HD22 ' A' ' 92' ' ' LEU . 22.5 m-85 -58.02 -25.85 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -83.16 -0.1 47.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -87.06 -13.68 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -108.74 -55.64 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.0 175.8 28.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -80.98 112.6 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 66' ' ' PHE . 20.1 mt -59.45 142.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 6.4 t80 -99.94 -34.6 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -169.0 121.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 tp -120.4 134.88 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -147.14 138.63 24.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.713 HG23 ' HG3' ' A' ' 59' ' ' GLU . 79.2 t -102.34 134.86 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.478 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -85.77 135.02 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -139.11 141.47 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.37 164.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -6.29 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -102.34 -46.33 4.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.9 p -104.4 -31.95 9.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.95 25.43 60.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.35 128.3 42.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -38.36 101.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.42 ' CE ' ' HB3' ' A' ' 78' ' ' LEU . 27.1 mtmt -54.03 -50.68 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.69 42.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -165.29 163.16 20.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.16 146.56 15.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.7 m-85 -93.91 120.95 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 66' ' ' PHE . 21.9 tp -109.85 133.21 53.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -121.72 133.15 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.448 ' CD2' HD12 ' A' ' 48' ' ' LEU . 12.7 m-85 -108.84 138.47 45.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -56.98 -43.48 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.39 158.6 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 20.1 ttm180 -68.31 -59.14 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -41.85 -59.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.4 m -41.51 -36.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 97' ' ' ARG . . . -71.14 -52.73 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.36 -45.09 80.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -57.79 -68.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . -52.85 -40.6 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 4.0 tt0 -59.69 -55.65 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.3 t -76.54 -12.5 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 110' ' ' GLN . . . -96.66 -20.18 18.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' ALA . 86.4 mt -106.21 -43.15 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 104' ' ' GLN . 61.8 t60 -49.59 101.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 67.24 37.27 3.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 12.5 mp0 -125.84 -44.77 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' HE2' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -100.25 158.94 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.7 m -135.06 99.29 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 52' ' ' GLN . 80.0 mt -56.67 154.99 15.59 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.24 3.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.57 15.04 30.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.4 mmm -127.56 97.36 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -44.88 -33.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -100.06 155.4 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.71 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 9.0 tt -88.58 136.16 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.405 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 27.5 mt-30 -109.65 119.73 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 50' ' ' VAL . 21.8 t -132.32 122.98 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -135.99 152.03 74.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.2 Cg_endo -69.7 81.43 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.783 0.325 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -44.59 -31.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -111.88 39.02 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.77 172.46 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.07 152.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -107.32 105.45 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD22 HG12 ' A' ' 122' ' ' VAL . 35.7 mt -79.01 138.81 38.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 125' ' ' ALA . 65.4 t80 -121.65 121.94 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 122' ' ' VAL . 5.1 t -104.82 132.32 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.24 34.04 4.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.641 ' O ' HD12 ' A' ' 113' ' ' LEU . 9.3 tp-100 -133.18 43.14 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -108.89 112.33 60.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.551 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.8 Cg_endo -69.83 177.28 5.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.324 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 139.79 30.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.3 -25.37 9.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' OD2' ' A' ' 61' ' ' ASP . 53.0 mt -99.93 -178.02 3.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -160.59 -176.3 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' HG ' ' A' ' 75' ' ' LEU . 32.5 mp0 -51.45 -20.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 8.0 pt20 -72.08 -31.75 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 5.9 t70 -90.3 -19.46 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 17.0 mt -91.63 -35.14 14.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.935 ' HD3' HD12 ' A' ' 72' ' ' ILE . 4.4 mmtm -46.3 -47.63 45.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -47.99 -55.19 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.29 -55.35 29.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.86 ' HB2' HD11 ' A' ' 72' ' ' ILE . 21.2 m-85 -57.49 -27.69 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -83.76 -0.67 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -82.79 -23.14 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.414 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 96.9 m-85 -102.55 -42.36 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.58 172.25 44.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -67.38 150.06 49.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.935 HD12 ' HD3' ' A' ' 63' ' ' LYS . 81.7 mt -100.25 158.81 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.521 ' N ' HG22 ' A' ' 72' ' ' ILE . 3.4 t80 -107.15 -35.32 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -171.83 125.27 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 8.0 tp -119.54 121.28 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -139.44 126.37 20.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.782 HG12 ' HB2' ' A' ' 90' ' ' ALA . 29.3 m -93.22 152.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -99.06 136.22 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -133.47 144.35 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.86 172.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -110.77 -43.83 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.41 -40.41 89.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.2 p -103.5 -50.22 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 25.45 17.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.3 mt -99.36 143.31 29.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -46.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -45.52 -55.72 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.61 41.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.74 166.75 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.782 ' HB2' HG12 ' A' ' 77' ' ' VAL . . . -159.12 150.6 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -97.9 117.28 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' ' 66' ' ' PHE . 18.5 tp -108.79 127.32 53.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.1 m -115.2 115.57 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.1 m-85 -87.24 139.44 30.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.74 -37.79 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.0 168.88 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -80.77 -48.35 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.505 ' HA ' HD12 ' A' ' 101' ' ' LEU . 1.4 m-20 -54.02 -55.82 23.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -43.42 -39.77 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -70.58 -54.2 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 98' ' ' ASP . 17.3 mt -49.53 -47.24 49.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 35.7 mtpt -60.34 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -32.72 11.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -69.13 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -75.01 -2.5 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -100.09 -20.79 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.454 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 85.4 mt -113.47 -42.24 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -40.08 109.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 56.27 42.28 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' LEU . 1.9 mt-30 -133.8 -44.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.512 ' O ' HG22 ' A' ' 120' ' ' ILE . 9.9 mmmt -100.04 172.89 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.1 m -155.96 113.05 3.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' GLN . 23.8 mt -62.99 157.44 61.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 108.59 2.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.36 11.68 17.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -124.02 123.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -69.22 -35.04 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -93.93 154.15 40.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.8 Cg_endo -69.77 178.0 5.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 111' ' ' LYS . 2.4 tt -86.69 120.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -100.37 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.437 HG23 HG12 ' A' ' 120' ' ' ILE . 21.4 t -129.26 118.55 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -129.65 153.37 80.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.78 85.1 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.79 0.328 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.28 1.07 55.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.84 157.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mt -131.77 145.63 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 18.4 tttt -102.49 105.58 16.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.485 HD21 HE21 ' A' ' 104' ' ' GLN . 53.5 mt -79.17 148.38 32.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.2 136.3 50.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.45 135.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.75 31.37 3.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' O ' HD12 ' A' ' 113' ' ' LEU . 39.1 mm-40 -133.07 40.09 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.2 mt -103.07 116.35 62.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -166.35 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.403 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -109.02 118.79 37.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.96 -21.76 3.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -106.17 170.41 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.04 -179.6 6.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.715 ' CD ' HG13 ' A' ' 77' ' ' VAL . 1.2 mm-40 -55.93 -26.13 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -69.16 -21.96 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -95.63 -18.85 20.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 60.2 mt -94.21 -27.23 16.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 ttmp? -55.74 -45.18 99.92 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.04 -49.11 14.63 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.15 -48.29 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.896 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.8 m-85 -62.73 -25.1 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -81.28 -3.24 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.48 -19.07 36.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -101.62 -40.14 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.17 174.0 46.39 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -66.97 130.47 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.896 HD11 ' HB2' ' A' ' 66' ' ' PHE . 83.6 mt -78.22 155.65 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 17.5 t80 -109.86 -46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -148.71 140.24 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.436 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 7.6 tp -144.71 115.71 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 m -145.12 123.89 12.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.715 HG13 ' CD ' ' A' ' 59' ' ' GLU . 32.1 m -77.84 152.86 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.53 139.71 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -136.21 151.78 50.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.6 m-20 -46.0 172.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -110.41 -29.11 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 10.2 mt -77.27 -44.47 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.8 p -108.25 -35.21 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.47 19.88 55.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.7 mt -86.12 143.27 28.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -45.89 116.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 29.1 mtmt -75.09 -56.43 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.36 43.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.5 170.77 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.45 ' HB2' HG12 ' A' ' 77' ' ' VAL . . . -163.07 144.54 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 6.2 m-85 -92.91 116.6 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.9 tp -115.14 130.64 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.8 m -122.13 130.98 53.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 10.9 m-85 -96.87 144.68 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 p -61.95 -31.75 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.9 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.36 15.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -59.55 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.9 m -50.02 -32.68 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 94' ' ' TYR . . . -72.75 -47.96 42.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.29 -52.01 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 25.4 mtpp -56.75 -68.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.08 -26.72 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.485 HE21 HD21 ' A' ' 48' ' ' LEU . 6.0 tt0 -72.19 -63.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.4 t -76.77 -6.07 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -95.68 -22.31 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -110.26 -37.99 5.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -50.16 106.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 60.74 37.53 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -126.12 -44.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.06 158.85 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 52.3 m -132.94 102.98 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 52' ' ' GLN . 42.1 mt -57.64 155.71 20.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 120.92 7.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.91 7.94 63.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mmm -118.39 98.44 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -45.65 -33.67 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -99.82 155.82 36.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -167.0 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.6 tt -99.49 139.82 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -112.67 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 23.9 t -133.14 125.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 156.38 72.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.7 Cg_endo -69.77 85.32 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -64.72 -34.92 79.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.72 10.11 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.51 165.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.9 mt -136.5 148.84 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 25.1 tttt -106.97 102.93 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 HG12 ' A' ' 122' ' ' VAL . 48.0 mt -79.07 144.78 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -126.63 126.28 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.089 HG22 HG22 ' A' ' 122' ' ' VAL . 96.5 t -103.14 138.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.54 34.53 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.521 ' H ' HG12 ' A' ' 50' ' ' VAL . 61.0 tp60 -134.59 42.35 2.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.6 mt -103.12 112.71 65.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 178.84 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -93.88 116.9 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.65 -29.59 2.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 mt -101.58 161.67 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.33 -175.12 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.661 ' OE2' HG23 ' A' ' 77' ' ' VAL . 32.5 mp0 -55.1 -18.95 6.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.87 -24.12 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.41 -11.78 20.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 36.8 mt -96.53 -33.32 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.732 ' HG3' HD12 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -51.02 -45.54 88.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.556 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -47.95 -55.87 3.62 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.28 -55.11 35.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.797 ' CE1' HD22 ' A' ' 92' ' ' LEU . 25.3 m-85 -56.22 -29.94 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.36 -11.3 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -78.64 -17.3 56.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.427 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 93.4 m-85 -105.97 -49.8 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.74 171.69 38.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -73.56 120.84 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.743 HD11 ' HB2' ' A' ' 66' ' ' PHE . 49.9 mt -67.01 143.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -99.98 -30.62 11.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -172.07 124.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 ' HB3' ' A' ' 59' ' ' GLU . 24.5 tp -124.63 128.91 49.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -142.57 138.57 30.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.661 HG23 ' OE2' ' A' ' 59' ' ' GLU . 97.2 t -98.69 137.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.645 HD11 ' CE2' ' A' ' 91' ' ' PHE . 22.8 mt -88.45 141.58 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -137.31 168.55 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.69 -177.44 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -120.15 -59.94 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.28 -39.76 91.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 p -101.3 -45.69 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.9 27.33 50.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.6 mt -96.34 133.75 40.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -43.54 97.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -50.99 -45.29 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.75 35.13 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.9 m -149.75 163.65 37.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.67 147.04 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 78' ' ' LEU . 16.6 m-85 -96.59 114.4 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.797 HD22 ' CE1' ' A' ' 66' ' ' PHE . 11.3 tp -106.04 137.16 44.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -129.85 125.49 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.5 m-85 -95.25 151.32 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.2 p -75.76 -30.35 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -112.84 145.0 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.74 -53.88 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.5 m -42.6 -36.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -73.9 -55.71 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.5 mt -49.83 -49.76 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 106' ' ' ALA . 59.3 mttt -57.51 -68.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.01 -35.99 11.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -63.22 -57.64 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.1 t -80.39 -5.99 57.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -98.72 -20.67 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -111.96 -45.02 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.552 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 78.2 t60 -47.21 108.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.461 ' CG ' ' OE1' ' A' ' 121' ' ' GLN . 14.2 mt-10 59.37 38.14 23.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -130.22 -44.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -100.4 156.44 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 56.8 m -133.09 99.24 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.8 mt -55.59 155.97 9.65 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.25 -1.99 56.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -111.97 118.08 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -64.81 -33.1 75.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.469 ' HG2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -100.14 156.39 35.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 176.09 7.25 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.47 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -86.72 130.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.552 ' OE1' ' CE1' ' A' ' 108' ' ' HIS . 12.5 mm100 -103.28 119.58 39.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 1.089 HG22 HG22 ' A' ' 50' ' ' VAL . 41.1 t -130.14 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.04 155.47 70.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 87.75 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.384 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 45' ' ' ALA . 10.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -41.51 -35.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -107.16 41.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 42' ' ' ASP . . . -71.36 178.12 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.14 152.62 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ALA . 6.7 ttpm? -110.57 117.36 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.65 141.93 28.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 2.8 t80 -123.84 126.82 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.547 HG22 HG22 ' A' ' 122' ' ' VAL . 18.1 t -103.59 133.65 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.68 32.39 3.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 119' ' ' PRO . 6.3 tp-100 -133.4 41.06 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.727 0.299 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mt -105.74 114.76 62.57 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -167.68 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -106.72 118.77 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.71 -24.99 3.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.38 169.93 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.06 -175.1 4.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 77' ' ' VAL . 1.3 mm-40 -56.79 -25.17 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.04 -20.4 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -97.81 -18.25 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 96.4 mt -92.04 -34.47 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.746 ' HD2' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -48.26 -46.75 67.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.8 Cg_exo -48.0 -43.99 28.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.8 mt -74.67 -54.48 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.924 ' HB2' HD11 ' A' ' 72' ' ' ILE . 20.3 m-85 -58.43 -24.05 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -82.95 -5.65 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.55 -20.86 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 106' ' ' ALA . 89.2 m-85 -101.14 -46.89 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.94 -173.45 34.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -86.27 125.94 33.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 66' ' ' PHE . 58.6 mt -72.41 143.66 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 5.0 t80 -100.62 -33.81 10.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -160.34 115.93 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' ' 72' ' ' ILE . 7.3 tp -121.39 114.72 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 77' ' ' VAL . 3.4 m -137.1 154.53 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 59' ' ' GLU . 47.3 t -114.15 137.03 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 91' ' ' PHE . 18.2 mt -86.3 131.05 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -129.53 160.79 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.74 -177.39 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -39.4 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.71 -41.83 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.7 p -101.16 -8.09 22.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 42.18 29.88 0.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.7 mt -97.54 172.39 7.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -74.46 107.96 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -57.87 -50.37 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.51 42.43 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -171.8 151.27 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.65 153.95 49.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 78' ' ' LEU . 3.7 m-85 -103.57 110.44 22.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.509 HD11 HG12 ' A' ' 72' ' ' ILE . 23.3 tp -108.59 138.26 45.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -130.87 120.02 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.3 m-85 -86.85 142.59 27.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -62.91 -39.34 94.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.54 -179.46 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -93.25 -41.1 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 101' ' ' LEU . 10.8 t0 -69.31 -47.0 65.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.459 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 68.7 m -41.06 -43.66 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -65.71 -55.19 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 98' ' ' ASP . 14.8 mt -50.49 -45.26 56.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -60.14 -69.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB2' ' CG ' ' A' ' 69' ' ' PHE . . . -54.63 -20.03 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -77.92 -53.59 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 33.7 t -80.35 -9.54 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HB3' ' CE2' ' A' ' 69' ' ' PHE . . . -95.84 -17.79 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.3 mt -113.17 -44.29 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.489 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 64.6 t60 -48.61 102.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 64.61 36.81 8.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 105' ' ' SER . 2.2 mp0 -128.85 -43.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -98.81 157.39 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.2 m -134.97 96.22 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 52' ' ' GLN . 63.5 mt -52.35 154.79 4.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.61 4.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.98 -1.68 41.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.1 mmt -112.86 118.02 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -63.06 -34.08 76.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -99.06 156.69 35.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.489 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 54.2 Cg_endo -69.72 178.03 4.96 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.3 tt -86.99 132.98 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -105.51 119.98 40.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.547 HG22 HG22 ' A' ' 50' ' ' VAL . 26.0 t -131.47 113.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -124.92 154.9 71.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.75 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.2 p-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -56.0 -35.71 67.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -87.31 12.33 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.39 170.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.23 123.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 17.2 tttt -81.25 104.04 11.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD22 HG12 ' A' ' 122' ' ' VAL . 29.1 mt -80.59 125.5 30.08 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -108.36 120.22 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 122' ' ' VAL . 14.3 t -102.37 135.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.95 33.38 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 88.1 mm-40 -134.26 42.12 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.78 114.07 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 162.77 40.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -82.02 115.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.92 -29.78 1.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.6 mt -100.28 163.07 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.01 -175.27 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 77' ' ' VAL . 2.0 mp0 -55.32 -22.52 19.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.2 -24.73 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 4.6 t70 -100.34 -15.76 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 96.6 mt -90.74 -38.54 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 9.1 ttmt -49.33 -46.18 77.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.592 0.711 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -44.84 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.29 -55.19 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.763 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.5 m-85 -57.78 -25.47 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -81.82 0.03 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -83.43 -28.26 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.467 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 93.9 m-85 -99.69 -46.02 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 177.22 40.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.81 147.39 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.763 HD11 ' HB2' ' A' ' 66' ' ' PHE . 23.1 mt -95.48 143.43 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -100.03 -29.79 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -169.31 135.3 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.15 126.71 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 m -139.29 132.66 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' HG3' ' A' ' 59' ' ' GLU . 72.5 t -99.62 127.2 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 91' ' ' PHE . 37.4 mt -76.37 137.69 39.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -137.81 153.79 49.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.57 -179.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -120.73 -47.2 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.9 mt -68.43 -44.42 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.8 p -102.46 -25.77 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.49 24.64 71.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.02 146.92 23.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -57.05 99.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -52.66 -48.8 66.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.448 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 123.16 39.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 1.9 m -156.27 160.43 39.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.7 148.34 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' ' 78' ' ' LEU . 33.8 m-85 -98.4 122.32 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.628 HD22 ' CD1' ' A' ' 66' ' ' PHE . 25.5 tp -108.93 138.42 45.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.3 m -127.86 110.63 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CE2' HD21 ' A' ' 92' ' ' LEU . 9.5 m-85 -85.29 142.22 29.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.1 p -67.34 -26.51 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.88 150.73 39.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.62 -62.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 99' ' ' SER . 3.3 m-20 -45.88 -58.91 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' ASP . 46.3 m -35.26 -45.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -66.81 -53.85 28.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.83 -52.47 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -53.37 -69.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.62 -38.79 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.55 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 13.0 t -76.14 -1.58 26.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.502 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . . . -100.18 -19.22 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 mt -116.35 -36.41 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.97 118.72 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 40.53 34.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 106' ' ' ALA . 5.2 mt-30 -129.11 -40.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.523 ' O ' HG22 ' A' ' 120' ' ' ILE . 1.0 OUTLIER -100.5 154.74 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.3 m -128.68 109.81 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.86 155.85 39.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.72 2.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.48 16.88 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 34.9 mmm -124.12 115.69 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -61.11 -34.13 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -99.99 153.85 37.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 176.76 6.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 111' ' ' LYS . 6.6 tt -91.39 135.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.426 HE21 ' NE2' ' A' ' 52' ' ' GLN . 50.8 mt-30 -111.33 119.79 40.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.734 HG12 HD22 ' A' ' 48' ' ' LEU . 40.2 t -129.69 115.57 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -121.41 148.19 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.701 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 87.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -55.2 -40.66 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -106.2 39.47 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.35 178.26 2.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.4 mt -137.89 148.12 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 6.4 ttmt -107.36 114.49 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.448 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 96.0 mt -89.88 120.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 31.3 t80 -102.27 131.65 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 122' ' ' VAL . 24.3 t -106.09 137.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.05 28.22 4.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.493 ' H ' HG12 ' A' ' 50' ' ' VAL . 5.4 mm-40 -133.31 41.84 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.9 mt -99.96 115.82 65.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 113' ' ' LEU . 54.0 Cg_endo -69.76 -171.29 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -103.18 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.99 -29.14 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.39 156.67 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.09 -175.02 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.605 ' CG ' HG23 ' A' ' 77' ' ' VAL . 16.3 mt-10 -57.31 -20.74 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.8 -16.0 54.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.3 m-20 -103.27 -20.16 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 32.1 mt -89.72 -35.25 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 12.8 tttp -48.22 -46.69 67.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.8 Cg_exo -47.99 -47.68 18.44 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -59.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.527 ' CD1' HD22 ' A' ' 92' ' ' LEU . 29.0 m-85 -56.46 -25.55 51.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 0.07 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -87.0 -20.52 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -102.32 -50.49 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.19 169.32 36.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -71.91 126.88 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 73' ' ' TYR . 22.1 mt -71.6 161.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.557 ' N ' HG22 ' A' ' 72' ' ' ILE . 23.2 t80 -114.95 -41.42 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -163.35 117.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.5 tp -115.34 136.29 53.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 m -149.76 137.24 19.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' CG ' ' A' ' 59' ' ' GLU . 97.1 t -100.53 138.77 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.7 mt -92.57 141.67 28.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 33.8 mttp -138.26 160.01 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.24 179.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -115.34 -54.91 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.7 mt -62.23 -40.57 96.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.6 p -103.9 -43.08 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.55 28.64 38.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 86' ' ' HIS . 25.8 mt -99.21 133.6 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 85' ' ' LEU . 26.0 t-80 -35.75 109.38 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 12.6 mtpp -65.54 -38.65 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 1.8 p -157.39 163.08 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.25 145.97 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.4 m-85 -96.62 113.64 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.527 HD22 ' CD1' ' A' ' 66' ' ' PHE . 12.9 tp -106.24 127.71 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 m -115.12 127.9 55.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -101.16 151.07 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 79.6 m -65.14 -47.31 77.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 11.0 ptt180 -73.65 -40.08 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.661 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -59.59 -57.36 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -40.82 -39.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.36 53.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 98' ' ' ASP . 14.2 mt -53.24 -44.46 68.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.27 -70.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . -48.42 -42.23 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.54 -57.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -76.81 -9.84 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 110' ' ' GLN . . . -100.03 -15.07 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 103' ' ' ALA . 60.7 mt -111.29 -43.75 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.433 ' N ' ' OE1' ' A' ' 110' ' ' GLN . 59.2 t60 -50.9 98.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 69.72 33.98 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.46 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 14.8 mp0 -125.02 -44.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 112' ' ' THR . 0.0 OUTLIER -100.3 156.21 17.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 60.6 m -134.2 100.27 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 54' ' ' PRO . 59.7 mt -54.41 154.26 8.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 113.17 3.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.39 13.82 34.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mmm -123.25 97.12 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -43.63 -35.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 153.28 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.9 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.298 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 111' ' ' LYS . 5.6 tt -87.96 145.68 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.466 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 52.7 mt-30 -119.49 119.35 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 50' ' ' VAL . 22.3 t -128.42 134.32 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -144.58 151.13 49.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 85.41 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 45' ' ' ALA . 5.8 p-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -61.18 -32.88 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -93.0 4.94 53.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' OD2' ' A' ' 42' ' ' ASP . . . -43.97 162.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mt -133.84 148.98 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' ' CD1' ' A' ' 91' ' ' PHE . 17.6 tttt -105.18 103.28 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD22 HG12 ' A' ' 122' ' ' VAL . 57.5 mt -80.3 138.38 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 53.8 t80 -119.03 137.5 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 122' ' ' VAL . 73.7 t -113.31 133.29 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -125.3 29.03 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' O ' HD12 ' A' ' 113' ' ' LEU . 1.3 mp0 -130.97 43.87 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 89' ' ' CYS . 29.9 mt -106.55 114.15 62.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.733 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.67 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.19 121.49 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.49 -27.81 3.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.52 HD13 ' OD2' ' A' ' 61' ' ' ASP . 53.7 mt -100.55 157.7 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.13 -175.27 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.618 ' CG ' HG23 ' A' ' 77' ' ' VAL . 32.3 mt-10 -56.41 -19.04 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.57 -20.56 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.52 ' OD2' HD13 ' A' ' 57' ' ' LEU . 26.3 t70 -103.03 -14.68 16.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 79.5 mt -93.24 -30.94 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.636 ' HG3' HD12 ' A' ' 72' ' ' ILE . 15.5 ttmt -55.39 -45.19 99.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -48.0 -54.8 4.7 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.307 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.89 -50.55 70.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.966 ' HB2' HD11 ' A' ' 72' ' ' ILE . 22.1 m-85 -61.43 -26.13 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -83.25 -2.68 56.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.31 -22.06 30.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -102.47 -39.4 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.47 173.81 45.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -74.76 128.03 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.317 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.966 HD11 ' HB2' ' A' ' 66' ' ' PHE . 94.8 mt -74.6 152.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.419 ' N ' HG22 ' A' ' 72' ' ' ILE . 10.3 t80 -106.41 -42.88 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -158.83 118.28 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 tp -118.96 126.51 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -142.65 130.16 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.618 HG23 ' CG ' ' A' ' 59' ' ' GLU . 97.7 t -94.01 135.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.641 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -82.57 140.55 33.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -139.64 154.14 47.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.65 175.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -109.51 -41.48 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.45 -40.36 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -100.69 -28.34 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.45 17.88 62.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.3 mt -87.74 172.33 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -70.32 104.39 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -59.01 -47.85 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.61 42.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.2 p -170.22 162.54 8.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.33 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.28 144.35 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.641 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.7 m-85 -94.0 116.52 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 66' ' ' PHE . 13.0 tp -108.09 131.17 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.6 m -121.88 125.9 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 11.7 m-85 -94.16 162.7 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.9 p -80.44 -31.72 37.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.96 164.6 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -76.34 -29.05 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 6.3 t0 -71.33 -55.91 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -42.8 -38.16 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -71.51 -56.93 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.8 mt -47.21 -50.59 20.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 106' ' ' ALA . 23.0 mtpt -59.21 -68.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.64 -30.46 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.03 -61.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -76.31 -2.71 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.02 -24.89 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.6 mt -109.5 -39.52 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -49.0 104.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 59.96 36.69 21.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -127.33 -43.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -99.57 158.5 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.5 m -134.9 103.62 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 52' ' ' GLN . 59.2 mt -58.57 155.54 28.5 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.23 . . . . 0.0 112.368 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.41 3.63 58.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -116.13 107.92 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -56.76 -32.09 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 152.66 38.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -91.56 129.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -105.92 119.72 39.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 50' ' ' VAL . 41.5 t -131.08 120.83 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.494 ' HE2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -132.62 154.96 81.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.72 84.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.7 p -120.18 158.48 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.3 m 45.24 47.99 10.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.27 -107.44 1.65 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 m 55.56 41.37 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 t -108.45 -56.13 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.8 -137.75 2.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.6 m -73.94 142.19 79.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 159.59 52.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 48.8 mtt -123.64 133.1 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 8.0 ptmm? -111.06 -175.6 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.33 149.53 21.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -62.38 -30.53 71.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.55 31.38 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.93 177.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.568 HD11 ' HD2' ' A' ' 97' ' ' ARG . 32.2 mt -143.03 130.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HE2' ' CG ' ' A' ' 91' ' ' PHE . 36.9 tttt -92.3 103.58 16.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD22 HG12 ' A' ' 122' ' ' VAL . 51.9 mt -79.38 148.61 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -125.8 130.49 51.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 122' ' ' VAL . 88.9 t -107.75 133.91 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.04 32.62 4.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.531 ' H ' HG12 ' A' ' 50' ' ' VAL . 4.7 tp-100 -134.05 40.07 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 89' ' ' CYS . 37.4 mt -100.11 113.7 65.38 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -167.53 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 131.12 54.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.47 -16.18 9.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 mt -103.21 177.25 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -153.35 -179.71 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.58 ' CG ' HG23 ' A' ' 77' ' ' VAL . 42.4 mt-10 -56.1 -21.85 24.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.26 -20.08 57.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.98 -13.29 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 68.0 mt -98.03 -28.9 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.0 mttp -56.22 -45.51 99.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.554 0.692 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.98 -50.08 12.57 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt -68.94 -50.99 44.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.811 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.8 m-85 -60.91 -24.36 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -80.84 -2.49 47.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -82.58 -13.63 56.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 91.1 m-85 -108.13 -32.1 7.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.83 -171.46 44.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.13 130.47 35.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.811 HD11 ' HB2' ' A' ' 66' ' ' PHE . 71.3 mt -80.04 152.75 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 45.9 t80 -105.64 -37.71 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -161.7 138.09 8.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.56 110.35 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -122.46 136.37 54.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.58 HG23 ' CG ' ' A' ' 59' ' ' GLU . 98.9 t -97.65 134.83 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 mt -86.33 123.46 31.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -130.78 144.99 51.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' OD1' ' CD ' ' A' ' 87' ' ' LYS . 6.1 m-20 -52.57 179.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.1 tmt_? -118.92 -62.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.9 -41.71 58.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.7 p -105.19 -40.06 5.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.28 15.09 72.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.9 mt -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -38.92 110.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' CD ' ' OD1' ' A' ' 80' ' ' ASP . 2.7 mtmp? -60.37 -43.01 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.41 36.7 0.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.47 ' C ' HD12 ' A' ' 53' ' ' ILE . 2.9 p -161.91 161.82 28.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.875 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.38 156.79 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CG ' ' HE2' ' A' ' 47' ' ' LYS . 37.3 m-85 -103.65 123.17 46.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 66' ' ' PHE . 9.5 tp -113.37 131.54 55.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.8 m -121.08 140.02 52.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.456 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 9.5 m-85 -110.15 141.25 43.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.4 -27.71 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.81 157.25 26.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.568 ' HD2' HD11 ' A' ' 46' ' ' ILE . 5.0 tpp85 -67.19 -59.29 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.68 ' HA ' HD12 ' A' ' 101' ' ' LEU . 53.4 m-20 -46.46 -54.36 9.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 74.7 m -35.72 -46.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.02 62.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 98' ' ' ASP . 29.9 mt -50.27 -51.64 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ALA . 27.1 mtpp -62.44 -68.23 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.02 -31.87 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -71.63 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 t -75.63 -2.57 29.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.521 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.91 -23.67 14.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.28 -39.22 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -48.63 107.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 58.46 40.54 23.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -129.03 -45.16 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.02 159.95 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 92.8 m -134.25 94.2 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 52' ' ' GLN . 66.3 mt -51.81 155.13 3.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.93 4.32 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.32 2.49 47.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.4 mmt -116.82 105.52 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -51.84 -35.11 43.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -100.05 160.05 28.21 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.425 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.9 Cg_endo -69.71 177.18 5.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -87.13 131.78 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -102.7 120.25 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.957 HG22 HG22 ' A' ' 50' ' ' VAL . 25.6 t -131.6 120.53 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -130.53 155.4 81.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 126' ' ' ALA . 53.0 Cg_endo -69.83 84.39 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.307 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -48.03 91.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 124' ' ' PRO . . . -174.07 155.05 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 126' ' ' ALA . 4.6 m 34.87 50.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.6 -44.52 90.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -39.64 -62.05 1.46 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -113.23 115.75 28.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -133.44 114.16 1.33 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -96.71 132.64 42.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -162.99 153.66 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -156.69 146.55 14.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.98 19.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -157.9 137.3 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.6 t -67.84 175.28 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.0 p -109.73 119.04 38.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 m -85.58 82.49 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.21 -60.09 0.4 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 t 50.26 41.98 24.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 t -92.59 139.67 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.94 172.44 14.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -95.84 143.56 26.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 140.73 43.21 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.3 mtt -116.24 143.75 45.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 pttt -126.19 -175.05 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -104.66 141.37 36.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -55.92 -31.65 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -111.64 39.28 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.37 179.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.6 mt -139.74 131.64 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -94.13 109.78 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.432 HD22 HG12 ' A' ' 122' ' ' VAL . 72.7 mt -82.65 140.35 33.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -119.42 126.04 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 52' ' ' GLN . 24.5 t -106.65 136.0 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.01 30.95 4.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.52 ' H ' HG12 ' A' ' 50' ' ' VAL . 8.1 tp-100 -133.29 40.7 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.504 HD12 ' C ' ' A' ' 89' ' ' CYS . 32.2 mt -102.78 112.45 65.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.99 6.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.348 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -94.92 118.01 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.81 -26.69 2.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.796 HD13 ' OD2' ' A' ' 61' ' ' ASP . 77.0 mt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.76 -175.24 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HG3' HG23 ' A' ' 77' ' ' VAL . 2.0 mp0 -57.14 -21.79 35.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.94 -20.0 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.796 ' OD2' HD13 ' A' ' 57' ' ' LEU . 26.5 t70 -100.15 -26.3 13.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.531 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 26.3 mt -91.95 -26.71 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.769 ' HG2' HD23 ' A' ' 75' ' ' LEU . 7.5 mmtp -55.17 -45.77 99.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.926 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.6 Cg_exo -47.95 -55.24 4.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.56 HD22 ' NZ ' ' A' ' 111' ' ' LYS . 83.1 mt -60.61 -51.51 69.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.0 m-85 -58.33 -25.16 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HG3' HD12 ' A' ' 72' ' ' ILE . 11.5 mt-10 -86.03 -3.39 58.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.41 -22.16 41.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 98.2 m-85 -100.55 -35.25 9.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.53 167.86 39.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -64.69 131.65 47.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 66' ' ' PHE . 23.0 mt -85.98 150.73 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 17.2 t80 -100.04 -37.3 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -170.48 137.45 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.769 HD23 ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp -130.26 119.17 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.2 m -133.66 123.07 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.781 HG11 ' NE2' ' A' ' 86' ' ' HIS . 91.2 t -86.98 133.02 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.026 HD11 ' CE2' ' A' ' 91' ' ' PHE . 23.9 mt -79.33 140.38 37.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -136.11 167.89 20.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -176.99 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -119.24 -49.83 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.4 -42.2 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.2 p -105.02 -14.24 15.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 54.01 24.73 28.79 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.26 168.27 11.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.781 ' NE2' HG11 ' A' ' 77' ' ' VAL . 20.5 t-80 -70.33 109.06 4.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -60.91 -51.2 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.05 42.57 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.504 ' C ' HD12 ' A' ' 53' ' ' ILE . 7.8 p -170.41 164.38 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -153.98 155.28 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 1.026 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.2 m-85 -105.59 111.77 24.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.631 HD22 ' CD1' ' A' ' 66' ' ' PHE . 14.7 tp -99.97 133.66 44.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 m -121.68 127.23 50.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.482 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 15.0 m-85 -102.27 147.43 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 p -62.21 -34.67 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.62 -177.67 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -32.44 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.5 ' HA ' HD12 ' A' ' 101' ' ' LEU . 21.0 m-20 -66.68 -49.93 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 m -48.88 -42.91 38.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.478 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -64.59 -56.63 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 98' ' ' ASP . 27.0 mt -44.19 -49.5 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -59.69 -69.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.66 -29.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.17 -54.03 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 t -79.75 -7.08 58.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.49 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -99.4 -20.19 16.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD23 ' HG3' ' A' ' 111' ' ' LYS . 86.1 mt -109.09 -48.97 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -42.25 108.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 54.8 41.1 32.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -131.49 -44.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.56 ' NZ ' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -100.07 174.44 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.2 m -152.4 108.88 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.83 157.8 78.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.85 4.29 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.09 26.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.9 mmt -106.4 117.15 33.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -91.34 158.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.8 tt -88.53 127.09 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -98.67 121.5 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 50' ' ' VAL . 17.3 t -132.48 124.48 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -136.05 152.37 75.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.48 140.22 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.58 114.1 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.3 p -52.81 -46.51 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.13 143.9 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 46.12 -162.68 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -140.96 178.52 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.65 83.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -131.76 136.6 47.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -122.56 149.96 43.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -145.14 84.29 0.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.67 54.72 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.5 m -152.43 177.47 10.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.9 p -127.35 -43.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.0 t -171.86 155.32 3.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.2 m -152.38 176.72 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.51 47.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' SER . 52.0 m -134.56 137.77 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' SER . 33.8 t -35.76 103.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.59 168.72 26.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.7 m -129.95 144.35 52.74 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.601 0.715 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 120.4 7.19 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.28 140.46 46.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -104.86 -175.0 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.9 148.35 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -55.85 -40.36 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -107.77 35.96 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.7 172.89 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.2 mt -135.64 148.85 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -105.21 105.74 15.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.0 mt -79.96 137.59 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 89' ' ' CYS . 11.6 t80 -118.54 126.69 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.894 HG22 HG22 ' A' ' 122' ' ' VAL . 60.6 t -105.61 133.22 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.74 32.36 4.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' H ' HG12 ' A' ' 50' ' ' VAL . 35.6 tp60 -133.54 40.84 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.9 mt -106.3 113.5 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -165.6 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -104.06 136.66 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.85 -24.32 9.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 mt -101.66 156.9 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -134.25 -177.55 4.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB3' HD23 ' A' ' 75' ' ' LEU . 36.9 mp0 -53.06 -28.43 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.72 -30.96 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.49 -15.17 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.97 -27.32 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 22.5 ttmt -54.92 -45.21 99.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.1 Cg_exo -47.92 -55.17 4.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.379 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.63 -50.69 70.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' A' ' 92' ' ' LEU . 23.5 m-85 -62.3 -24.51 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -83.25 -0.06 47.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.22 -17.44 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 87.9 m-85 -103.93 -41.71 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.19 -174.94 39.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -81.12 130.69 35.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 73' ' ' TYR . 21.6 mt -77.4 160.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 24.5 t80 -115.71 -37.97 3.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -163.99 117.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.575 HD23 ' HB3' ' A' ' 59' ' ' GLU . 20.1 tp -116.75 119.14 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -134.68 136.4 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.3 t -97.09 137.16 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.61 HD11 ' CE2' ' A' ' 91' ' ' PHE . 26.9 mt -89.83 130.94 36.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -138.27 155.47 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -53.43 177.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.538 ' CG ' HD12 ' A' ' 82' ' ' LEU . 19.1 ptt-85 -116.09 -43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.538 HD12 ' CG ' ' A' ' 81' ' ' ARG . 5.3 mp -68.63 -43.72 75.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.1 p -102.13 -45.13 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.8 27.59 34.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.49 135.61 38.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.19 100.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -58.99 -44.15 91.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 125.7 42.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 1.6 p -166.75 159.3 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.32 147.04 24.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.0 m-85 -97.3 110.91 23.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 66' ' ' PHE . 14.7 tp -100.08 134.56 42.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.1 m -123.95 125.29 44.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.48 ' CE2' HD21 ' A' ' 92' ' ' LEU . 14.0 m-85 -99.06 154.99 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 93.4 m -66.3 -46.82 75.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.08 175.55 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -84.67 -42.77 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.825 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.8 t0 -57.43 -57.75 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' ASP . 12.9 m -37.66 -45.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.35 86.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.1 mt -57.27 -48.39 79.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -58.76 -67.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . . . -51.89 -39.03 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -57.77 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.1 t -77.28 -7.42 55.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -96.94 -17.83 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 mt -113.53 -39.34 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -50.54 107.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 59.06 38.94 23.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -128.89 -44.51 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -100.02 154.52 18.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 112' ' ' THR . 22.1 m -134.82 91.76 2.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 39.9 mt -46.79 155.43 0.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 112.02 2.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.18 0.85 33.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -115.85 105.52 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.23 -32.22 47.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -100.0 154.36 37.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 177.56 5.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -87.69 127.34 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.79 119.74 39.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.894 HG22 HG22 ' A' ' 50' ' ' VAL . 43.9 t -130.07 120.98 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -131.19 153.2 81.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.76 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.732 2.288 . . . . 0.0 112.336 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -34.73 130.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -110.68 86.11 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 78.1 p -63.33 -53.02 59.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -161.47 115.98 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -127.06 -53.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -63.42 -57.57 9.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.87 125.74 10.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -163.37 130.66 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.9 m -38.33 134.66 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -91.33 -149.96 24.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.421 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 109.51 2.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t -70.42 -58.44 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.5 p 42.49 41.4 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.2 p -46.7 -44.14 18.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.2 m -68.47 163.05 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.41 39.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.4 p -65.98 164.15 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -159.61 172.61 17.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.08 -103.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.97 144.36 39.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 126.4 13.33 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.376 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.5 mtp -129.47 125.46 36.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -109.16 -177.66 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -105.48 166.4 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -71.46 -34.8 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.91 36.62 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.82 178.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.18 149.0 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 20.5 tttt -109.72 107.11 17.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.752 HD22 HG12 ' A' ' 122' ' ' VAL . 31.2 mt -78.78 143.52 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -124.56 120.4 31.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.873 HG22 HG22 ' A' ' 122' ' ' VAL . 48.8 t -101.74 133.33 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -124.98 28.54 5.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 113' ' ' LEU . 1.3 mp0 -130.64 43.82 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 mt -105.18 112.33 65.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD2' HD13 ' A' ' 113' ' ' LEU . 54.1 Cg_endo -69.79 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.635 2.224 . . . . 0.0 112.356 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -105.23 117.11 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.67 2.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 mt -100.76 158.42 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.76 -179.35 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 77' ' ' VAL . 20.4 mt-10 -54.13 -20.03 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -78.03 -25.61 47.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 -9.61 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 70.7 mt -96.09 -31.0 13.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 26.2 mtpt -52.46 -45.71 95.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -54.45 5.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.65 -54.53 38.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.883 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.5 m-85 -60.07 -23.38 63.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.24 -0.88 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -85.99 -15.68 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.461 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 81.2 m-85 -110.16 -57.55 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -145.54 -179.34 21.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -81.73 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.883 HD11 ' HB2' ' A' ' 66' ' ' PHE . 95.4 mt -82.0 137.53 21.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 3.6 t80 -100.03 -34.29 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -165.07 127.76 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tp -128.98 119.86 25.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 m -136.9 139.29 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 90' ' ' ALA . 18.5 t -100.6 149.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.5 mt -98.32 129.31 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -120.48 179.15 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -179.25 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -108.49 -25.59 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -96.23 -42.68 8.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -107.81 -19.8 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.424 ' C ' ' HB3' ' A' ' 79' ' ' LYS . . . 55.67 33.54 59.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.425 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 86' ' ' HIS . 47.6 mt -94.93 135.03 36.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.484 ' CD2' HG11 ' A' ' 77' ' ' VAL . 14.7 t-80 -34.85 99.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -59.64 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.84 43.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.7 163.52 12.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -158.62 147.78 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CE2' HD11 ' A' ' 78' ' ' LEU . 18.9 m-85 -98.12 115.96 29.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.556 HD22 ' CD1' ' A' ' 66' ' ' PHE . 20.2 tp -102.98 133.36 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -122.89 118.21 27.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -93.89 149.57 21.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 81.5 m -63.87 -40.81 97.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.11 177.85 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 ptt85 -89.54 -41.33 12.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.63 ' HA ' HD12 ' A' ' 101' ' ' LEU . 5.9 t0 -61.67 -53.38 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.9 m -40.65 -35.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.07 -55.07 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 98' ' ' ASP . 16.8 mt -45.75 -46.42 15.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -63.55 -69.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.33 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.1 -52.61 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.9 t -79.72 -6.29 56.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.461 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -98.14 -25.63 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.69 -46.15 4.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -45.69 109.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.799 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.81 39.47 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -130.78 -44.31 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -97.0 157.03 16.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.0 m -134.75 94.62 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 52' ' ' GLN . 41.5 mt -55.58 156.87 8.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.36 9.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 98.85 -6.59 60.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -109.48 107.42 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -53.3 -34.24 56.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -98.59 161.22 25.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -102.86 133.1 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -104.78 119.65 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.873 HG22 HG22 ' A' ' 50' ' ' VAL . 28.5 t -131.5 116.98 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.409 ' CB ' ' NZ ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -128.78 153.88 79.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.71 88.15 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.8 -51.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -37.59 -71.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 83.5 p -87.04 169.2 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -117.25 101.38 8.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 60.99 13.03 32.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.67 132.48 55.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 150.81 160.03 9.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -113.57 -178.91 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 85.9 p -166.57 156.88 12.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.63 63.74 4.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -44.42 2.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.8 t -149.5 149.53 30.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.1 m -56.47 149.65 16.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.1 p -69.58 160.22 31.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.3 m -156.58 134.59 11.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -128.98 -85.75 0.45 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t 60.69 42.4 13.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.822 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 m -91.06 103.39 16.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 41.02 -159.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.85 147.99 37.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.616 0.722 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 135.35 30.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mmt -120.99 128.9 53.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 43.1 pttt -118.1 -176.55 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -102.01 157.41 16.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.457 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 7.9 p80 -64.61 -38.2 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.75 37.61 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.95 179.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.7 mt -139.72 136.47 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -99.93 108.0 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 104' ' ' GLN . 76.8 mt -77.83 139.39 39.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -117.79 121.62 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.056 HG22 HG22 ' A' ' 122' ' ' VAL . 60.8 t -102.34 136.93 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.02 33.4 2.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 77.1 mm-40 -133.52 41.65 3.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 mt -110.15 115.0 55.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -173.37 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -99.99 117.33 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.11 -31.51 1.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' OD2' ' A' ' 61' ' ' ASP . 35.8 mt -100.61 173.92 6.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -146.69 -175.05 4.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.65 -20.82 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -74.86 -12.96 60.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' ' 57' ' ' LEU . 13.6 t0 -110.17 -15.96 13.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 65.2 mt -92.53 -35.35 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 mtpm? -50.43 -45.83 84.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.0 Cg_exo -47.94 -55.5 3.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.626 2.218 . . . . 0.0 112.376 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.94 -50.97 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.725 ' HB2' HD11 ' A' ' 72' ' ' ILE . 26.5 m-85 -61.57 -24.64 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.37 -2.74 50.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.65 -23.26 42.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 90.9 m-85 -100.17 -44.03 6.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.39 161.61 33.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -54.89 141.12 34.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.725 HD11 ' HB2' ' A' ' 66' ' ' PHE . 44.9 mt -91.7 153.4 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 28.9 t80 -101.35 -37.45 8.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -173.86 136.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 tp -131.38 125.65 33.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -135.36 139.04 43.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 90' ' ' ALA . 86.6 t -102.06 127.12 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.508 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -75.45 131.63 40.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -134.1 161.98 33.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.88 178.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -115.39 -38.65 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.8 -34.24 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.2 p -107.8 -36.14 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.18 27.55 68.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.2 mt -97.31 172.81 7.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -71.31 109.75 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -62.91 -50.36 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.81 42.42 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 5.9 p -173.05 162.46 4.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -152.84 143.93 23.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CE2' HD11 ' A' ' 78' ' ' LEU . 8.1 m-85 -92.79 111.81 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.74 HD21 ' CE2' ' A' ' 94' ' ' TYR . 17.5 tp -101.71 136.39 41.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -127.74 115.21 18.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.74 ' CE2' HD21 ' A' ' 92' ' ' LEU . 14.8 m-85 -87.94 152.25 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -67.3 -41.88 84.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.74 162.39 16.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.7 ptt85 -70.3 -47.15 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 101' ' ' LEU . 2.0 m-20 -51.39 -60.16 3.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.1 m -42.48 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.55 -52.12 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 98' ' ' ASP . 16.9 mt -52.3 -49.16 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 106' ' ' ALA . 37.0 mtpt -60.04 -67.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.79 -40.58 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.405 ' HB2' HD21 ' A' ' 48' ' ' LEU . 4.8 tt0 -61.09 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -73.93 -3.54 29.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' CE1' ' A' ' 69' ' ' PHE . . . -97.01 -29.08 13.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.7 mt -104.24 -40.27 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -46.94 111.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 54.66 40.99 32.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.418 ' CD ' ' O ' ' A' ' 106' ' ' ALA . 3.5 tt0 -130.34 -44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -98.18 174.85 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.5 m -155.81 106.46 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.58 155.31 50.73 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 105.52 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 110.52 18.97 8.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 14.7 mmm -128.31 113.97 16.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -59.11 -36.09 74.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -99.25 153.14 37.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.73 2.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.462 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.8 tt -88.02 131.57 35.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -108.74 119.74 40.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 1.056 HG22 HG22 ' A' ' 50' ' ' VAL . 40.9 t -132.05 118.68 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -127.6 150.16 72.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.77 84.64 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -37.12 132.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -117.49 155.26 30.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.2 p -100.1 -51.24 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.55 -43.88 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 107.22 58.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -108.34 162.76 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -96.54 -146.66 21.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -168.07 148.02 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.0 t -168.21 110.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -152.81 86.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 137.42 35.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.268 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.3 t -122.58 134.97 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.8 m -73.43 108.83 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 p -118.06 -53.76 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.7 m -72.28 134.17 45.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.31 -62.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.534 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -92.26 120.68 33.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.4 p -97.15 176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.55 -167.02 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -59.16 142.66 85.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.26 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.8 ptm -111.83 127.05 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 3.7 ptmm? -104.47 -177.28 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 1.3 m-20 -96.53 137.41 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 44' ' ' ASP . 17.0 p80 -49.47 -35.81 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 8.6 p-10 -111.15 31.45 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 42' ' ' ASP . . . -67.55 177.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 47' ' ' LYS . 33.7 mt -134.45 161.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.535 ' N ' HG22 ' A' ' 46' ' ' ILE . 25.7 tttt -115.38 108.46 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.16 140.09 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -124.73 126.21 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 122' ' ' VAL . 15.6 t -103.31 139.13 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.85 29.91 3.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.504 ' H ' HG12 ' A' ' 50' ' ' VAL . 15.7 tp60 -132.78 40.41 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 90' ' ' ALA . 34.6 mt -102.02 113.72 65.76 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.34 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 ptt-85 -108.37 136.63 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.71 14.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.573 HD22 ' OD2' ' A' ' 61' ' ' ASP . 79.5 mt -100.97 169.18 9.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.937 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -143.76 179.31 7.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.666 ' HG3' HG23 ' A' ' 77' ' ' VAL . 26.5 mt-10 -56.73 -20.7 23.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -76.56 -22.93 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.573 ' OD2' HD22 ' A' ' 57' ' ' LEU . 17.8 t70 -92.25 -17.03 25.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 67.7 mt -95.26 -30.04 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.3 mtpt -55.71 -45.57 99.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.589 0.709 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.8 Cg_exo -47.97 -48.02 17.48 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.4 mt -69.74 -53.92 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' HD22 ' A' ' 92' ' ' LEU . 21.9 m-85 -58.64 -24.82 61.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -78.78 -1.27 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -87.13 -18.52 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 103' ' ' ALA . 78.7 m-85 -100.52 -47.19 4.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.92 -170.48 32.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -83.64 122.11 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 66' ' ' PHE . 26.7 mt -70.54 142.93 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 46.3 t80 -101.08 -34.05 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -162.33 133.35 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.572 HD23 ' HG3' ' A' ' 63' ' ' LYS . 12.0 tp -138.54 120.03 14.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.5 m -140.15 139.16 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.666 HG23 ' HG3' ' A' ' 59' ' ' GLU . 96.1 t -94.79 132.4 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 91' ' ' PHE . 15.9 mt -79.4 122.89 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -126.44 165.45 19.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.77 178.01 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.6 mmm180 -114.31 -51.45 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mp -72.85 -38.08 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.4 p -102.6 -31.78 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.25 25.0 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.519 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' HIS . 86.7 mt -96.98 128.55 44.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.492 ' NE2' HG11 ' A' ' 77' ' ' VAL . 38.7 t-80 -35.32 105.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -59.07 -46.75 87.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.04 42.3 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 p -166.87 167.45 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' ILE . . . -158.94 151.1 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.51 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.4 m-85 -101.16 113.72 27.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.575 HD22 ' CE1' ' A' ' 66' ' ' PHE . 25.7 tp -106.36 134.74 49.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 m -124.36 140.58 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.1 m-85 -111.62 140.76 45.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.8 p -58.95 -42.3 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.19 149.4 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -57.41 -59.88 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.627 ' HA ' HD12 ' A' ' 101' ' ' LEU . 5.8 t70 -41.43 -61.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.4 m -39.17 -40.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.87 -47.07 69.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.7 mt -57.5 -47.01 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 5.9 mtpm? -59.35 -68.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB2' ' CG ' ' A' ' 69' ' ' PHE . . . -51.27 -31.0 19.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.25 -60.82 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.412 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 5.2 t -78.34 -4.99 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.22 -18.01 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 69' ' ' PHE . 90.5 mt -113.15 -44.63 3.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.49 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 75.7 t60 -44.64 108.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 56.61 40.86 29.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 1.5 mp0 -129.21 -45.23 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -100.0 179.44 4.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 17.7 m -154.04 108.87 3.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.48 156.94 87.39 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.16 5.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 109.66 -14.99 32.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.8 mmt -104.8 125.44 50.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.97 -33.46 73.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.65 161.29 26.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 178.66 4.36 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.456 HG12 HG23 ' A' ' 122' ' ' VAL . 1.7 tt -87.13 134.17 28.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -105.92 120.94 43.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 50' ' ' VAL . 23.4 t -134.64 115.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -130.35 155.05 81.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 96.66 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' LYS . . . -46.8 127.39 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -129.11 77.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.9 m -127.49 126.33 42.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -115.01 -42.47 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.81 92.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -157.8 106.17 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -43.93 -92.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.91 140.68 31.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.4 t -148.83 138.61 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.62 84.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 162.72 41.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.7 m -68.93 154.06 42.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.8 t 63.7 39.72 8.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.551 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.6 p -75.57 142.92 42.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.821 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -99.59 -57.55 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.04 93.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 t -95.12 108.86 20.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.8 p -72.5 112.76 8.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.96 153.04 6.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 39' ' ' PRO . 6.3 t -124.93 136.46 28.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 38' ' ' VAL . 54.0 Cg_endo -69.79 136.06 31.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.3 mmt -125.35 144.77 50.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.2 ptmt -110.56 -174.94 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -112.72 146.91 37.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -58.82 -38.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -109.19 36.34 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.44 174.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.7 mt -141.99 135.04 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -94.1 123.57 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.82 HD22 HG12 ' A' ' 122' ' ' VAL . 34.8 mt -93.47 122.04 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -105.02 126.73 52.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 122' ' ' VAL . 21.8 t -106.04 132.36 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.59 36.27 2.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.548 ' O ' HD12 ' A' ' 113' ' ' LEU . 75.6 mm-40 -134.59 41.19 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.412 HD13 HD11 ' A' ' 62' ' ' LEU . 40.5 mt -107.63 116.75 57.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.8 Cg_endo -69.75 -164.39 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -109.24 118.79 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.23 -27.56 2.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.3 mt -99.93 171.12 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -142.7 -174.99 4.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' CD ' ' CG2' ' A' ' 77' ' ' VAL . 6.2 mm-40 -58.67 -20.07 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -68.81 -19.55 64.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 t70 -99.2 -21.5 16.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 57.7 mt -90.45 -37.93 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.562 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 mmmp? -47.48 -46.98 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.526 0.679 . . . . 0.0 110.871 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.0 Cg_exo -48.01 -55.04 4.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD21 ' HE3' ' A' ' 111' ' ' LYS . 27.8 mt -62.97 -50.36 71.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.791 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.0 m-85 -59.61 -25.37 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.42 -0.16 55.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -88.18 -20.84 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.06 -42.53 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.52 175.01 46.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.13 135.5 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.791 HD11 ' HB2' ' A' ' 66' ' ' PHE . 43.9 mt -87.9 156.39 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 16.3 t80 -108.45 -49.96 3.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -145.11 138.82 26.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' HG ' ' CD ' ' A' ' 59' ' ' GLU . 28.4 tp -142.68 121.33 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -144.5 130.89 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG2' ' CD ' ' A' ' 59' ' ' GLU . 26.0 t -84.55 136.44 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD11 ' CE2' ' A' ' 91' ' ' PHE . 14.3 mt -90.32 128.28 36.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -126.52 177.56 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.12 169.12 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -108.39 -45.16 3.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.21 -37.63 57.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.7 p -100.05 -46.09 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.7 17.56 59.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.6 mt -89.96 149.17 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -54.8 100.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -55.52 -48.06 75.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.2 40.5 0.44 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.442 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 3.3 m -156.81 161.5 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.05 141.27 19.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CE2' HD11 ' A' ' 78' ' ' LEU . 7.2 m-85 -95.07 113.64 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.512 HD22 ' CD1' ' A' ' 66' ' ' PHE . 19.4 tp -109.07 138.59 45.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -129.0 122.37 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.73 139.76 31.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 55.6 m -55.22 -48.39 73.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.84 161.7 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.8 ptm180 -77.56 -41.06 40.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 1.1 m-20 -56.73 -53.01 62.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 m -48.73 -35.46 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.54 -52.74 28.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.6 mt -47.84 -53.46 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 106' ' ' ALA . 41.7 mttm -55.29 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.45 -30.39 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.77 -63.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -76.41 -2.69 33.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -96.32 -26.92 15.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.3 mt -108.07 -39.51 5.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -48.34 110.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 55.44 41.7 30.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -130.39 -45.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.535 ' HE3' HD21 ' A' ' 65' ' ' LEU . 4.6 tptp -99.25 158.74 15.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.9 m -134.8 92.88 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 52' ' ' GLN . 48.8 mt -42.38 155.81 0.25 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.07 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.8 -0.36 39.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 39.5 mmm -106.97 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -52.79 -34.32 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.79 155.52 36.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -171.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 1.4 tt -95.91 136.19 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -108.73 119.66 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 50' ' ' VAL . 47.7 t -132.11 115.55 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -124.2 150.5 63.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.698 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.8 Cg_endo -69.8 80.57 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -35.24 -52.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -89.96 97.25 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 t -113.45 -48.1 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.58 163.09 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 127.12 -142.69 13.71 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -57.59 144.04 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 171.72 -66.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.84 161.84 30.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 39.6 m 52.66 36.63 21.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.19 -155.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.19 35.75 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.0 t -59.92 105.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.0 m -99.96 128.34 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t 40.51 42.29 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -56.4 170.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.32 133.85 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -74.18 121.62 21.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.3 p -82.06 -47.43 12.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.91 -118.21 0.58 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.67 143.63 95.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 114.32 3.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.727 2.285 . . . . 0.0 112.349 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.0 mtp -93.98 133.68 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -133.79 -174.84 3.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.8 146.68 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 97' ' ' ARG . 18.8 p-10 -114.14 36.8 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.1 mt -142.71 135.29 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 49.4 tttp -98.08 102.61 14.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 HG12 ' A' ' 122' ' ' VAL . 54.8 mt -76.93 148.84 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -128.14 126.85 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 122' ' ' VAL . 92.2 t -107.91 128.66 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.51 34.12 3.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 80.4 mm-40 -134.34 41.19 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.548 HD13 HD11 ' A' ' 62' ' ' LEU . 33.0 mt -107.38 113.94 61.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.92 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.27 133.91 45.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.01 -26.61 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.758 HD22 ' OD2' ' A' ' 61' ' ' ASP . 48.6 mt -99.97 162.43 12.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -136.27 -175.37 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.601 ' CG ' HG23 ' A' ' 77' ' ' VAL . 22.4 mt-10 -58.16 -18.31 24.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -80.81 -16.22 54.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.758 ' OD2' HD22 ' A' ' 57' ' ' LEU . 8.1 t70 -96.98 -23.18 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 HD13 ' A' ' 53' ' ' ILE . 79.0 mt -92.1 -25.54 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.593 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.3 tttt -55.1 -45.34 99.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.5 Cg_exo -47.94 -55.63 3.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.93 -52.85 63.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.835 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.9 m-85 -58.06 -26.27 62.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.49 -4.39 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -79.98 -21.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 88.3 m-85 -105.01 -45.79 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 171.63 40.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -69.72 134.08 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.835 HD11 ' HB2' ' A' ' 66' ' ' PHE . 42.7 mt -82.25 144.95 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 3.7 t80 -100.0 -30.95 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -172.05 137.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 tp -133.42 121.3 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 m -129.26 137.35 51.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' CG ' ' A' ' 59' ' ' GLU . 96.6 t -102.14 136.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.1 mt -85.59 128.26 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -136.43 149.71 48.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.35 170.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -111.68 -40.01 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.47 -35.71 53.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.2 p -100.96 -33.07 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.77 21.03 79.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.6 164.38 13.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' NE2' HG11 ' A' ' 77' ' ' VAL . 6.3 t-80 -72.78 99.88 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -51.28 -50.77 58.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.93 40.22 0.46 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -155.01 163.6 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.07 138.01 6.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.531 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 45.3 m-85 -92.77 119.89 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.752 HD22 ' CD1' ' A' ' 66' ' ' PHE . 34.2 tp -103.79 135.96 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.8 m -127.33 118.24 23.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.455 ' CE2' HD21 ' A' ' 92' ' ' LEU . 20.5 m-85 -94.84 144.79 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.13 -38.66 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.7 176.26 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -89.85 -34.26 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 11.3 t0 -61.69 -58.02 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.5 m -40.49 -37.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 104' ' ' GLN . . . -67.87 -50.69 54.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 98' ' ' ASP . 15.4 mt -57.62 -47.0 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 24.2 mtmt -60.71 -68.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -36.7 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 100' ' ' ALA . 4.4 tt0 -61.43 -64.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.6 m -74.24 -4.78 38.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -98.33 -22.1 16.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.5 mt -108.59 -40.44 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -49.79 108.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 56.97 40.25 28.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -128.08 -45.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -100.16 159.42 15.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 55.1 m -134.13 96.77 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.3 mt -53.32 156.41 4.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.584 0.707 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.48 0.78 62.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -114.13 108.73 17.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -56.62 -32.35 65.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.45 ' NE ' ' HD2' ' A' ' 119' ' ' PRO . 15.4 mmm180 -99.92 156.28 35.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.45 ' HD2' ' NE ' ' A' ' 118' ' ' ARG . 53.8 Cg_endo -69.74 -176.63 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 5.0 tt -90.65 138.58 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 1.4 mp0 -111.49 119.59 39.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 50' ' ' VAL . 42.2 t -131.53 125.78 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -137.43 154.42 75.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.72 84.0 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.28 . . . . 0.0 112.38 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -34.05 -49.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.29 107.36 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -107.1 170.93 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -164.25 112.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -145.1 161.42 28.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -96.36 145.18 25.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -137.34 131.05 5.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 56.43 41.47 28.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 77.2 p -106.55 80.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.39 -179.54 39.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.88 48.06 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.742 2.295 . . . . 0.0 112.365 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.7 t -77.78 165.41 24.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.9 t -63.85 100.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.8 m -114.15 113.66 24.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 t -117.59 93.49 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.25 -147.76 23.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 t -71.77 -50.11 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 t -69.23 100.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.75 -49.9 5.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' CG1' ' HD2' ' A' ' 39' ' ' PRO . 2.7 t -37.79 134.92 0.8 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.57 0.7 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HD2' ' CG1' ' A' ' 38' ' ' VAL . 53.4 Cg_endo -69.82 98.96 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.325 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.7 ptm -122.16 135.38 54.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -113.55 -174.9 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -88.26 157.05 18.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -64.43 -18.28 64.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -123.3 27.74 7.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 179.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -142.38 138.87 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -101.14 121.53 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.6 136.42 33.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -118.9 117.23 28.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 122' ' ' VAL . 47.0 t -97.44 134.64 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.41 30.28 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.518 ' H ' HG12 ' A' ' 50' ' ' VAL . 4.8 tp-100 -131.78 42.44 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.53 HD12 ' C ' ' A' ' 89' ' ' CYS . 21.1 mt -100.5 113.68 65.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.45 0.27 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.361 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -104.41 118.37 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.1 -17.25 4.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.6 mt -101.9 164.15 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -141.09 -176.33 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.511 ' HG3' HG23 ' A' ' 77' ' ' VAL . 21.8 mt-10 -59.99 -19.13 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -82.53 -9.26 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -107.1 -18.37 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 82.3 mt -96.09 -19.05 19.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 tttp -63.78 -45.21 81.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -48.0 -50.65 11.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.695 HD22 ' NZ ' ' A' ' 111' ' ' LYS . 94.0 mt -66.33 -49.36 67.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 62' ' ' LEU . 17.0 m-85 -64.27 -22.61 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.6 -0.18 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.14 -18.4 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -100.94 -42.92 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.64 -178.91 44.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -71.89 134.91 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 66' ' ' PHE . 64.8 mt -81.47 159.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE2' ' HD2' ' A' ' 41' ' ' LYS . 6.2 t80 -114.47 -38.07 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -169.22 126.99 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 tp -123.14 120.6 33.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.0 m -135.98 139.08 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.511 HG23 ' HG3' ' A' ' 59' ' ' GLU . 72.3 t -97.13 135.2 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.407 HD21 ' CE2' ' A' ' 91' ' ' PHE . 40.6 mt -84.91 133.19 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -136.13 151.04 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.67 -179.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -115.69 -39.2 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -77.3 -37.15 53.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.9 p -107.89 -13.72 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 48.12 25.7 4.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.9 mt -96.0 160.11 14.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -62.53 102.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -61.42 -39.08 89.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.07 41.46 0.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.53 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -160.5 155.58 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB3' HD11 ' A' ' 53' ' ' ILE . . . -150.14 142.63 24.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.407 ' CE2' HD21 ' A' ' 78' ' ' LEU . 7.2 m-85 -94.29 111.06 22.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 tp -103.0 138.56 39.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -124.18 139.7 53.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -114.52 137.61 51.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 96' ' ' ALA . 3.1 p -62.67 -40.56 97.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' N ' ' SG ' ' A' ' 95' ' ' CYS . . . -94.95 177.37 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -97.78 -32.15 11.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.0 p-10 -71.85 -48.53 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.3 m -40.15 -47.83 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.0 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.07 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 98' ' ' ASP . 21.9 mt -54.04 -48.16 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -62.86 -69.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.17 -25.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.96 -65.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.8 t -71.28 -4.67 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.02 -21.24 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 92.2 mt -110.6 -47.62 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -41.45 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 54.76 41.47 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.89 -44.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.695 ' NZ ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -100.0 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -146.43 105.59 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.98 155.48 63.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.56 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 112.44 -7.31 26.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -111.78 109.49 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -56.16 -34.49 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -94.0 155.84 39.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.476 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.6 Cg_endo -69.8 175.38 8.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.418 HG12 HG23 ' A' ' 122' ' ' VAL . 2.9 tt -86.65 125.82 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.23 119.88 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 50' ' ' VAL . 34.3 t -129.37 118.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -124.14 147.36 54.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -37.37 95.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' PRO . . . -129.58 121.51 27.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.8 t -65.1 -49.18 70.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.76 113.18 26.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -98.63 144.81 17.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -86.02 139.81 30.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 159.71 91.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -51.71 173.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.8 m -60.65 155.33 19.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -38.06 -89.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.41 65.02 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.5 t -115.35 -59.14 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.6 p -66.64 -59.51 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.439 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.1 t -102.69 83.35 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.5 p -89.01 89.45 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.69 79.34 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.5 p -108.22 138.71 44.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.1 p -40.12 134.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.35 84.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 m -90.91 145.65 32.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.663 0.744 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' MET . 54.0 Cg_endo -69.75 -24.52 29.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.472 ' C ' ' O ' ' A' ' 39' ' ' PRO . 9.5 mtt -32.0 125.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 19.5 pttt -74.96 -174.36 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 4.7 m-20 -101.05 148.42 25.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -66.12 -29.93 70.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -113.95 28.51 8.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 42' ' ' ASP . . . -65.25 178.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.7 mt -121.08 134.02 65.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 32.6 tttt -94.79 104.7 16.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.604 HD22 HG12 ' A' ' 122' ' ' VAL . 31.6 mt -77.14 138.75 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 89' ' ' CYS . 24.9 t80 -122.04 123.24 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.63 133.0 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.48 31.67 3.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 15.7 mm100 -134.13 39.25 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -102.4 116.13 63.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.87 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -105.48 120.96 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.36 -23.23 3.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.3 164.35 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.46 -174.99 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.507 ' HG3' HG23 ' A' ' 77' ' ' VAL . 25.5 mp0 -56.46 -22.9 35.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.58 -18.88 60.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.98 -15.26 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 61.2 mt -95.88 -33.94 12.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.663 ' HG2' HD13 ' A' ' 72' ' ' ILE . 11.7 mtmm -52.68 -45.53 96.51 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -47.93 -50.35 11.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.5 -50.84 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.868 ' HB2' HD11 ' A' ' 72' ' ' ILE . 25.9 m-85 -58.58 -24.11 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -82.62 -0.01 45.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.53 -20.44 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.506 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 89.5 m-85 -108.41 -47.57 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -156.16 174.11 34.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -79.67 127.28 31.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.868 HD11 ' HB2' ' A' ' 66' ' ' PHE . 28.7 mt -71.39 152.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 39.0 t80 -118.89 -48.53 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -142.99 119.55 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 tp -128.51 123.91 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -142.89 118.52 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 59' ' ' GLU . 91.3 t -76.71 132.33 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 91' ' ' PHE . 28.6 mt -79.84 129.44 34.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -139.57 149.55 43.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.21 -177.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.656 ' CG ' HD12 ' A' ' 82' ' ' LEU . 8.0 ptp180 -120.78 -43.11 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 81' ' ' ARG . 5.4 mp -71.51 -33.68 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 -33.76 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.51 76.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.28 170.1 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -79.29 93.87 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -50.53 -45.08 56.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 124.43 40.88 0.41 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 4.3 m -156.2 163.47 39.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.58 144.59 13.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 78' ' ' LEU . 22.2 m-85 -98.79 114.55 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.622 HD22 ' CD1' ' A' ' 66' ' ' PHE . 15.4 tp -106.33 143.82 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.8 m -131.8 123.32 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.555 ' CD1' ' HB3' ' A' ' 99' ' ' SER . 11.8 m-85 -95.67 123.17 39.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.1 p -35.21 -39.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.32 165.47 13.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 16.1 ptt-85 -76.32 -38.12 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 101' ' ' LEU . 32.0 m-20 -59.74 -54.81 42.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.555 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 29.5 m -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 94' ' ' TYR . . . -69.77 -56.69 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.045 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 98' ' ' ASP . 24.4 mt -43.27 -49.24 6.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -61.84 -70.07 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -44.11 -27.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.79 -58.49 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -77.73 -6.14 53.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.506 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . . . -99.78 -20.51 16.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.074 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.2 mt -110.55 -40.43 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.483 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 69.5 t60 -50.35 102.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 63.88 37.78 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 108' ' ' HIS . 2.2 mp0 -126.96 -44.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.04 159.05 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 83.0 m -134.64 98.02 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.7 mt -50.21 153.6 2.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 109.66 2.37 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.16 7.7 32.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 29.3 mmm -118.24 115.69 25.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.11 -37.03 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -99.89 158.19 32.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -177.95 2.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 6.3 tt -91.02 141.3 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -112.09 119.81 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.604 HG12 HD22 ' A' ' 48' ' ' LEU . 21.7 t -131.74 117.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -130.77 152.84 81.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.11 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.39 147.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -160.86 161.74 31.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.6 m -112.84 79.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -143.8 173.66 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -113.97 54.1 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -75.26 119.29 19.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.45 ' C ' ' OE1' ' A' ' 132' ' ' GLU . . . -86.3 -145.63 8.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 131' ' ' GLY . 2.3 mp0 -133.2 129.62 38.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.7 m -125.69 153.94 43.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.792 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.14 132.9 3.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 155.44 66.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.37 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m -79.93 -42.87 23.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.1 p -92.46 118.36 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -132.05 132.78 43.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t 68.0 39.54 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.33 -151.88 38.97 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' GLY . 15.4 m -93.93 151.85 19.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.863 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' SER . 96.7 p -37.5 -31.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 100.8 61.21 0.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.04 141.9 40.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 115.78 4.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -120.98 146.28 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -129.25 -175.14 3.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.42 154.8 18.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -64.97 -27.09 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -113.42 28.01 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 178.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -141.26 144.03 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -105.81 115.37 30.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.0 mt -85.51 142.94 28.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 42.8 t80 -123.0 132.21 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.48 132.5 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.61 28.81 5.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' O ' HD12 ' A' ' 113' ' ' LEU . 60.2 mm-40 -134.42 37.7 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mt -101.71 113.36 65.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.721 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.583 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.7 Cg_endo -69.72 -172.74 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -102.44 118.22 36.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.9 -28.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.7 mt -99.93 176.65 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.952 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -145.49 -176.27 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HB3' HD23 ' A' ' 75' ' ' LEU . 14.3 mt-10 -60.68 -23.74 65.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -71.84 -24.5 61.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.8 t70 -91.27 -21.78 20.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.7 mt -91.76 -25.79 18.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.701 ' HG3' HD12 ' A' ' 72' ' ' ILE . 28.4 tttp -55.23 -45.78 99.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.0 -55.51 3.95 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' HE2' ' A' ' 111' ' ' LYS . 87.0 mt -60.18 -56.35 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.606 ' HB2' HD11 ' A' ' 72' ' ' ILE . 25.7 m-85 -57.34 -28.17 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.93 -6.2 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.15 -14.1 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -110.27 -34.26 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.66 175.89 47.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -78.75 125.81 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.701 HD12 ' HG3' ' A' ' 63' ' ' LYS . 60.0 mt -70.13 150.09 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 8.2 t80 -104.92 -32.98 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -166.01 126.6 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' A' ' 59' ' ' GLU . 12.2 tp -128.08 120.51 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 90' ' ' ALA . 37.1 t -91.67 139.61 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -89.83 120.3 30.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -128.32 154.05 46.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.99 176.72 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -118.67 -43.72 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.88 -42.94 76.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.6 p -100.26 -33.02 10.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.59 21.31 77.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.3 mt -93.86 148.57 22.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -56.45 103.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -50.41 -51.39 46.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.66 42.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 2.0 p -171.66 162.38 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 77' ' ' VAL . . . -155.4 148.59 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.77 117.58 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.455 HD22 ' CE1' ' A' ' 66' ' ' PHE . 17.8 tp -109.84 138.89 45.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -126.24 130.29 50.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 9.6 m-85 -101.99 149.14 24.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 61.7 m -70.88 -39.17 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.87 160.62 15.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -33.36 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 101' ' ' LEU . 4.5 t70 -73.04 -52.19 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -40.07 -44.07 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -67.59 -53.13 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 98' ' ' ASP . 29.8 mt -47.44 -53.25 14.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -56.24 -67.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.33 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.78 -52.97 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 t -80.11 -6.47 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.37 -21.0 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.31 -45.67 3.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -47.04 111.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 53.55 40.34 31.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.78 -44.74 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.43 ' HE2' HD22 ' A' ' 65' ' ' LEU . 5.8 mmtm -98.96 171.23 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.3 m -147.11 107.09 3.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 52' ' ' GLN . 63.1 mt -62.77 154.45 75.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.664 0.745 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 108.12 2.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.85 6.87 24.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 5.1 mmt -119.64 114.05 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -56.16 -37.86 70.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 162.04 22.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.49 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.0 tt -95.3 144.15 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.429 ' NE2' ' HG3' ' A' ' 52' ' ' GLN . 2.4 mp0 -113.37 119.85 39.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.4 t -130.38 115.9 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -125.39 155.33 71.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . . . -42.67 166.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . 56.19 50.13 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -164.55 119.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -98.02 -54.94 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 158.43 -168.29 34.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.73 162.85 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -159.4 90.8 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.0 161.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 39.5 t -122.57 159.31 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 165.25 146.18 4.69 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 94.4 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.251 . . . . 0.0 112.377 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.8 p -95.86 -38.49 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 22.8 t -163.18 112.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.4 p -111.66 118.16 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -99.34 98.66 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.64 70.91 0.6 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.4 m -84.53 131.91 34.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -92.03 134.0 35.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.56 146.5 5.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.3 m -80.1 139.55 53.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 140.97 44.11 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.787 2.325 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.6 mtp -96.44 147.57 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -131.36 -174.99 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -100.2 143.98 29.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -58.27 -38.24 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -108.33 38.0 2.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mt -144.1 127.83 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.529 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 29.2 tttt -87.36 101.85 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.56 140.33 38.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.15 124.4 44.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.797 HG22 HG22 ' A' ' 122' ' ' VAL . 51.8 t -103.21 135.94 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.46 31.5 3.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.614 ' O ' HD12 ' A' ' 113' ' ' LEU . 91.4 mm-40 -134.36 40.43 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.712 HD13 HD11 ' A' ' 62' ' ' LEU . 44.9 mt -104.5 119.05 55.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.4 Cg_endo -69.78 -178.76 2.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HD3' HD22 ' A' ' 85' ' ' LEU . 27.6 ttm180 -96.72 117.33 30.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.75 -21.06 2.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.93 151.32 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.3 -175.05 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.89 -33.73 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.02 -21.07 62.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 2.1 m-20 -87.13 -28.92 22.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 53' ' ' ILE . 88.3 mt -89.34 -36.66 15.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 33.5 mttt -46.99 -47.21 54.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -47.96 -48.4 16.39 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.58 -57.52 8.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.728 ' HB2' HD11 ' A' ' 72' ' ' ILE . 29.8 m-85 -57.63 -27.18 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG2' HD12 ' A' ' 72' ' ' ILE . 7.5 mm-40 -79.19 -2.22 39.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.72 -19.61 44.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 95.4 m-85 -105.99 -49.73 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.43 164.78 31.18 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -68.9 112.11 5.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 66' ' ' PHE . 43.0 mt -58.8 149.99 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 10.3 t80 -104.13 -34.54 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -175.2 121.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.7 tp -120.48 130.64 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -139.97 112.25 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 89' ' ' CYS . 5.1 p -89.17 126.52 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.0 141.88 45.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -139.68 144.15 37.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.2 t70 -41.44 161.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -108.23 -36.5 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.78 -40.46 61.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.0 p -102.2 -33.73 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.79 25.56 57.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.482 HD22 ' HD3' ' A' ' 55' ' ' ARG . 13.9 mt -97.47 172.59 7.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.544 ' NE2' HG21 ' A' ' 77' ' ' VAL . 17.7 t-80 -68.34 112.13 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 5.8 mtpm? -63.64 -54.03 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.73 43.11 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.567 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.9 p -174.28 163.39 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 77' ' ' VAL . . . -161.17 145.18 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.529 ' CD1' ' HE2' ' A' ' 47' ' ' LYS . 22.6 m-85 -96.36 109.08 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.685 HD22 ' CD1' ' A' ' 66' ' ' PHE . 12.4 tp -99.51 138.48 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.6 m -123.52 123.37 40.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.624 ' CE2' HD21 ' A' ' 92' ' ' LEU . 15.2 m-85 -98.96 138.06 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.37 -42.01 94.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.617 ' HB1' ' OD1' ' A' ' 98' ' ' ASP . . . -108.08 140.94 40.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptt180 -61.13 -29.1 69.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.617 ' OD1' ' HB1' ' A' ' 96' ' ' ALA . 4.0 p-10 -69.45 -56.86 6.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -43.83 -35.47 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -69.39 -50.43 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 98' ' ' ASP . 18.9 mt -51.83 -46.95 64.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 106' ' ' ALA . 81.2 mttt -61.76 -67.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.28 -38.09 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 5.0 tt0 -64.74 -61.58 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.469 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 23.0 t -74.73 -4.63 38.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.56 -26.32 14.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.01 -41.94 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 57.0 t60 -47.41 107.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 56.56 37.87 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.469 ' NE2' ' O ' ' A' ' 105' ' ' SER . 1.4 mp0 -129.66 -44.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -100.02 158.82 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.0 m -134.9 100.88 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 52' ' ' GLN . 42.3 mt -51.15 154.53 2.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 107.94 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.32 17.24 14.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.9 mmm -125.76 120.2 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -63.76 -35.86 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 80.3 mtm-85 -98.93 155.89 36.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.86 3.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.426 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 13.6 tt -88.92 135.36 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.408 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 31.3 mt-30 -109.4 119.72 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.797 HG22 HG22 ' A' ' 50' ' ' VAL . 44.4 t -130.88 126.54 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 151.51 76.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -43.16 144.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . 51.31 54.89 10.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.6 t -169.33 145.3 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -89.73 122.67 33.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 175.1 73.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -108.86 162.39 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -137.63 112.93 0.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -89.49 42.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.2 p -162.66 175.17 11.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 150.18 -175.48 29.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -179.27 2.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 90.1 p -97.59 113.12 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.791 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 95.4 p -86.55 173.13 9.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.465 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -99.42 120.58 39.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 m -94.0 150.87 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.19 105.53 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -67.53 177.52 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.3 m -164.01 154.8 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.53 -91.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.3 143.52 31.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.655 0.74 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 109.64 2.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -116.95 129.38 56.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -111.08 -174.87 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -105.4 158.01 16.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -68.35 -35.61 78.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -108.76 37.77 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.47 -179.0 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 47' ' ' LYS . 38.8 mt -138.96 154.54 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 46' ' ' ILE . 19.7 tptt -105.47 122.26 45.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 94' ' ' TYR . 60.2 mt -95.24 134.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 122' ' ' VAL . 11.0 t -103.62 132.31 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.4 34.36 3.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.612 ' O ' HD12 ' A' ' 113' ' ' LEU . 27.2 mm100 -134.53 40.54 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.1 mt -106.33 113.76 62.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.5 Cg_endo -69.77 -179.59 3.02 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -95.32 117.31 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 -30.63 1.84 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.95 166.61 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.827 0.346 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.59 -176.17 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.713 ' HG3' HG23 ' A' ' 77' ' ' VAL . 21.4 mp0 -57.38 -22.78 44.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.23 -14.64 60.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.2 m-20 -103.97 -20.84 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 74.3 mt -91.07 -33.32 15.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 6.4 ttmm -49.85 -45.96 80.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.614 0.721 . . . . 0.0 110.93 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.9 Cg_exo -48.01 -53.86 6.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD22 ' HE2' ' A' ' 111' ' ' LYS . 51.6 mt -65.09 -54.11 35.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' HD22 ' A' ' 92' ' ' LEU . 22.5 m-85 -58.02 -25.85 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -83.16 -0.1 47.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -87.06 -13.68 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -108.74 -55.64 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.0 175.8 28.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -80.98 112.6 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 66' ' ' PHE . 20.1 mt -59.45 142.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 6.4 t80 -99.94 -34.6 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -169.0 121.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 tp -120.4 134.88 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.4 m -147.14 138.63 24.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.713 HG23 ' HG3' ' A' ' 59' ' ' GLU . 79.2 t -102.34 134.86 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.478 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -85.77 135.02 33.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -139.11 141.47 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.37 164.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -6.29 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -102.34 -46.33 4.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.9 p -104.4 -31.95 9.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.95 25.43 60.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.35 128.3 42.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -38.36 101.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.832 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' CE ' ' HB3' ' A' ' 78' ' ' LEU . 27.1 mtmt -54.03 -50.68 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.69 42.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -165.29 163.16 20.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.16 146.56 15.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.7 m-85 -93.91 120.95 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 66' ' ' PHE . 21.9 tp -109.85 133.21 53.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.1 m -121.72 133.15 54.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.448 ' CD2' HD12 ' A' ' 48' ' ' LEU . 12.7 m-85 -108.84 138.47 45.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -56.98 -43.48 81.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.39 158.6 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 20.1 ttm180 -68.31 -59.14 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -41.85 -59.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.4 m -41.51 -36.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 97' ' ' ARG . . . -71.14 -52.73 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.36 -45.09 80.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -57.79 -68.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . -52.85 -40.6 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 4.0 tt0 -59.69 -55.65 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.3 t -76.54 -12.5 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 110' ' ' GLN . . . -96.66 -20.18 18.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' ALA . 86.4 mt -106.21 -43.15 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 104' ' ' GLN . 61.8 t60 -49.59 101.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 67.24 37.27 3.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.448 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 12.5 mp0 -125.84 -44.77 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' HE2' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -100.25 158.94 15.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.7 m -135.06 99.29 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 52' ' ' GLN . 80.0 mt -56.67 154.99 15.59 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 114.24 3.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.57 15.04 30.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 9.4 mmm -127.56 97.36 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -44.88 -33.22 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -100.06 155.4 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.71 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 9.0 tt -88.58 136.16 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.405 ' H ' ' CG ' ' A' ' 52' ' ' GLN . 27.5 mt-30 -109.65 119.73 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 50' ' ' VAL . 21.8 t -132.32 122.98 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -135.99 152.03 74.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.2 Cg_endo -69.7 81.43 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.92 -69.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.2 138.77 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.3 p -170.54 129.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.52 -57.13 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -69.47 -175.57 13.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 15.2 ttp-105 -171.44 146.59 2.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 175.84 -149.44 10.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -147.0 168.13 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.4 p -157.23 154.16 28.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -109.49 152.74 17.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 148.81 66.15 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 20.9 t -126.59 42.05 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.0 t -76.19 132.44 39.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -150.09 173.14 14.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.826 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -87.37 98.41 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.84 -170.02 43.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.1 p -162.56 126.02 2.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.4 m -98.69 148.91 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.93 169.35 26.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 m -47.66 143.64 5.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.14 6.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.7 mtt -98.64 142.88 29.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -130.67 -175.17 3.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -106.33 126.76 52.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -44.59 -31.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -111.88 39.02 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.77 172.46 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.07 152.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -107.32 105.45 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD22 HG12 ' A' ' 122' ' ' VAL . 35.7 mt -79.01 138.81 38.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 125' ' ' ALA . 65.4 t80 -121.65 121.94 38.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 122' ' ' VAL . 5.1 t -104.82 132.32 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.24 34.04 4.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.641 ' O ' HD12 ' A' ' 113' ' ' LEU . 9.3 tp-100 -133.18 43.14 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mt -108.89 112.33 60.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.551 ' HD2' HD13 ' A' ' 113' ' ' LEU . 53.8 Cg_endo -69.83 177.28 5.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.324 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 139.79 30.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.3 -25.37 9.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' OD2' ' A' ' 61' ' ' ASP . 53.0 mt -99.93 -178.02 3.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -160.59 -176.3 5.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' HG ' ' A' ' 75' ' ' LEU . 32.5 mp0 -51.45 -20.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 8.0 pt20 -72.08 -31.75 66.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 5.9 t70 -90.3 -19.46 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 17.0 mt -91.63 -35.14 14.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.935 ' HD3' HD12 ' A' ' 72' ' ' ILE . 4.4 mmtm -46.3 -47.63 45.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.4 Cg_exo -47.99 -55.19 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.29 -55.35 29.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.86 ' HB2' HD11 ' A' ' 72' ' ' ILE . 21.2 m-85 -57.49 -27.69 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -83.76 -0.67 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -82.79 -23.14 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.414 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 96.9 m-85 -102.55 -42.36 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.58 172.25 44.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -67.38 150.06 49.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.935 HD12 ' HD3' ' A' ' 63' ' ' LYS . 81.7 mt -100.25 158.81 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 3.4 t80 -107.15 -35.32 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -171.83 125.27 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 8.0 tp -119.54 121.28 39.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -139.44 126.37 20.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.782 HG12 ' HB2' ' A' ' 90' ' ' ALA . 29.3 m -93.22 152.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -99.06 136.22 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -133.47 144.35 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.86 172.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -110.77 -43.83 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.41 -40.41 89.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.2 p -103.5 -50.22 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 25.45 17.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.3 mt -99.36 143.31 29.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -46.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -45.52 -55.72 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.61 41.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.546 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.74 166.75 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.782 ' HB2' HG12 ' A' ' 77' ' ' VAL . . . -159.12 150.6 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -97.9 117.28 31.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' ' 66' ' ' PHE . 18.5 tp -108.79 127.32 53.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.1 m -115.2 115.57 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.1 m-85 -87.24 139.44 30.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.74 -37.79 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.0 168.88 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -80.77 -48.35 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.505 ' HA ' HD12 ' A' ' 101' ' ' LEU . 1.4 m-20 -54.02 -55.82 23.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -43.42 -39.77 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -70.58 -54.2 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 98' ' ' ASP . 17.3 mt -49.53 -47.24 49.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 35.7 mtpt -60.34 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.36 -32.72 11.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -69.13 -63.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -75.01 -2.5 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -100.09 -20.79 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.051 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.454 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 85.4 mt -113.47 -42.24 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -40.08 109.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 56.27 42.28 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' LEU . 1.9 mt-30 -133.8 -44.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.512 ' O ' HG22 ' A' ' 120' ' ' ILE . 9.9 mmmt -100.04 172.89 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.1 m -155.96 113.05 3.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' GLN . 23.8 mt -62.99 157.44 61.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 108.59 2.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 111.36 11.68 17.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mmt -124.02 123.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -69.22 -35.04 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -93.93 154.15 40.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.5 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 53.8 Cg_endo -69.77 178.0 5.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 111' ' ' LYS . 2.4 tt -86.69 120.61 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -100.37 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.437 HG23 HG12 ' A' ' 120' ' ' ILE . 21.4 t -129.26 118.55 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -129.65 153.37 80.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 54.0 Cg_endo -69.78 85.1 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . . . -33.94 -53.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -104.83 92.6 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.7 m -92.26 93.04 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -121.57 97.63 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -165.92 -41.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -47.95 103.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -150.97 -103.39 0.26 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 53.63 42.3 31.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.2 p -65.56 131.26 45.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -174.5 155.58 21.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 134.16 27.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.1 m -83.5 177.64 8.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.1 m -95.24 160.04 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -161.57 174.87 12.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 t -173.29 151.81 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.82 -127.81 2.7 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 p -52.21 117.34 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -104.59 171.55 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.35 -147.88 5.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 p -60.84 131.64 91.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 111.121 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 168.47 21.53 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.8 mtt -146.6 126.92 13.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 13.9 pttp -112.89 160.45 18.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -83.53 157.29 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.28 1.07 55.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.84 157.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 mt -131.77 145.63 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 18.4 tttt -102.49 105.58 16.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.485 HD21 HE21 ' A' ' 104' ' ' GLN . 53.5 mt -79.17 148.38 32.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.2 136.3 50.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.45 135.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.75 31.37 3.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' O ' HD12 ' A' ' 113' ' ' LEU . 39.1 mm-40 -133.07 40.09 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.2 mt -103.07 116.35 62.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -166.35 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.403 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -109.02 118.79 37.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.96 -21.76 3.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -106.17 170.41 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -142.04 -179.6 6.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.715 ' CD ' HG13 ' A' ' 77' ' ' VAL . 1.2 mm-40 -55.93 -26.13 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -69.16 -21.96 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -95.63 -18.85 20.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 60.2 mt -94.21 -27.23 16.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 ttmp? -55.74 -45.18 99.92 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.2 Cg_exo -48.04 -49.11 14.63 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.15 -48.29 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.896 ' HB2' HD11 ' A' ' 72' ' ' ILE . 23.8 m-85 -62.73 -25.1 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -81.28 -3.24 51.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.48 -19.07 36.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -101.62 -40.14 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.17 174.0 46.39 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -66.97 130.47 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.896 HD11 ' HB2' ' A' ' 66' ' ' PHE . 83.6 mt -78.22 155.65 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 17.5 t80 -109.86 -46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -148.71 140.24 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.436 ' HG ' ' CG ' ' A' ' 59' ' ' GLU . 7.6 tp -144.71 115.71 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 m -145.12 123.89 12.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.715 HG13 ' CD ' ' A' ' 59' ' ' GLU . 32.1 m -77.84 152.86 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.53 139.71 34.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -136.21 151.78 50.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 6.6 m-20 -46.0 172.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -110.41 -29.11 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 81' ' ' ARG . 10.2 mt -77.27 -44.47 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.8 p -108.25 -35.21 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.47 19.88 55.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.7 mt -86.12 143.27 28.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -45.89 116.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 29.1 mtmt -75.09 -56.43 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.36 43.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.5 170.77 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' HB2' HG12 ' A' ' 77' ' ' VAL . . . -163.07 144.54 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 6.2 m-85 -92.91 116.6 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.9 tp -115.14 130.64 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.8 m -122.13 130.98 53.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 10.9 m-85 -96.87 144.68 26.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.9 p -61.95 -31.75 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.9 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.36 15.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -59.55 -58.54 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.9 m -50.02 -32.68 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 94' ' ' TYR . . . -72.75 -47.96 42.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.29 -52.01 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 25.4 mtpp -56.75 -68.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.08 -26.72 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.485 HE21 HD21 ' A' ' 48' ' ' LEU . 6.0 tt0 -72.19 -63.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.4 t -76.77 -6.07 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 102' ' ' LYS . . . -95.68 -22.31 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -110.26 -37.99 5.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -50.16 106.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 60.74 37.53 18.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -126.12 -44.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -100.06 158.85 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 52.3 m -132.94 102.98 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 52' ' ' GLN . 42.1 mt -57.64 155.71 20.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 120.92 7.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 91.91 7.94 63.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.6 mmm -118.39 98.44 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -45.65 -33.67 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -99.82 155.82 36.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -167.0 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.393 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.461 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.6 tt -99.49 139.82 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -112.67 119.61 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 23.9 t -133.14 125.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 156.38 72.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.7 Cg_endo -69.77 85.32 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -37.99 104.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -166.22 173.13 10.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.1 t -66.58 122.11 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -109.29 111.47 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -102.97 -114.34 3.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 9.5 ttp-105 -141.19 110.75 6.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -149.77 99.6 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -167.02 117.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -144.12 155.13 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.75 74.39 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -179.33 2.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.28 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.6 p -172.45 169.52 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 70.5 m -52.86 -55.85 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -95.78 114.38 26.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -161.52 165.22 28.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.93 -131.67 2.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.7 m -128.84 95.53 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -66.68 -46.16 76.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.4 -115.96 0.58 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.7 129.99 24.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 122.06 8.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -111.55 156.03 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 16.4 pttp -129.16 -175.18 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -102.17 156.95 17.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -64.72 -34.92 79.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.72 10.11 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.51 165.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.9 mt -136.5 148.84 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HE3' ' CG ' ' A' ' 91' ' ' PHE . 25.1 tttt -106.97 102.93 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 HG12 ' A' ' 122' ' ' VAL . 48.0 mt -79.07 144.78 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -126.63 126.28 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.089 HG22 HG22 ' A' ' 122' ' ' VAL . 96.5 t -103.14 138.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.54 34.53 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.521 ' H ' HG12 ' A' ' 50' ' ' VAL . 61.0 tp60 -134.59 42.35 2.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.6 mt -103.12 112.71 65.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 178.84 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -93.88 116.9 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.65 -29.59 2.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 mt -101.58 161.67 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -136.33 -175.12 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.661 ' OE2' HG23 ' A' ' 77' ' ' VAL . 32.5 mp0 -55.1 -18.95 6.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.87 -24.12 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.41 -11.78 20.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 36.8 mt -96.53 -33.32 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.732 ' HG3' HD12 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -51.02 -45.54 88.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.556 0.693 . . . . 0.0 110.874 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -47.95 -55.87 3.62 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 mt -61.28 -55.11 35.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.797 ' CE1' HD22 ' A' ' 92' ' ' LEU . 25.3 m-85 -56.22 -29.94 61.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.36 -11.3 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -78.64 -17.3 56.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.427 ' CE1' ' CB ' ' A' ' 106' ' ' ALA . 93.4 m-85 -105.97 -49.8 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.74 171.69 38.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -73.56 120.84 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.743 HD11 ' HB2' ' A' ' 66' ' ' PHE . 49.9 mt -67.01 143.18 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 9.6 t80 -99.98 -30.62 11.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -172.07 124.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 ' HB3' ' A' ' 59' ' ' GLU . 24.5 tp -124.63 128.91 49.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -142.57 138.57 30.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.661 HG23 ' OE2' ' A' ' 59' ' ' GLU . 97.2 t -98.69 137.02 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.645 HD11 ' CE2' ' A' ' 91' ' ' PHE . 22.8 mt -88.45 141.58 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -137.31 168.55 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.69 -177.44 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -120.15 -59.94 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.28 -39.76 91.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 p -101.3 -45.69 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.9 27.33 50.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.6 mt -96.34 133.75 40.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -43.54 97.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -50.99 -45.29 61.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.75 35.13 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 69.9 m -149.75 163.65 37.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.67 147.04 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 78' ' ' LEU . 16.6 m-85 -96.59 114.4 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.797 HD22 ' CE1' ' A' ' 66' ' ' PHE . 11.3 tp -106.04 137.16 44.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -129.85 125.49 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 12.5 m-85 -95.25 151.32 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.2 p -75.76 -30.35 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -112.84 145.0 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -62.16 -31.17 71.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -73.74 -53.88 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.5 m -42.6 -36.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -73.9 -55.71 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.5 mt -49.83 -49.76 47.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 106' ' ' ALA . 59.3 mttt -57.51 -68.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.01 -35.99 11.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -63.22 -57.64 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.1 t -80.39 -5.99 57.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -98.72 -20.67 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.4 mt -111.96 -45.02 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.552 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 78.2 t60 -47.21 108.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.461 ' CG ' ' OE1' ' A' ' 121' ' ' GLN . 14.2 mt-10 59.37 38.14 23.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -130.22 -44.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -100.4 156.44 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 56.8 m -133.09 99.24 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.8 mt -55.59 155.97 9.65 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.62 6.54 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.25 -1.99 56.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.0 mmt -111.97 118.08 34.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -64.81 -33.1 75.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.469 ' HG2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -100.14 156.39 35.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 176.09 7.25 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.47 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 2.1 tt -86.72 130.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.552 ' OE1' ' CE1' ' A' ' 108' ' ' HIS . 12.5 mm100 -103.28 119.58 39.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 1.089 HG22 HG22 ' A' ' 50' ' ' VAL . 41.1 t -130.14 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -125.04 155.47 70.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 87.75 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.384 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.89 133.23 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . 60.31 54.98 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 t -151.1 107.62 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -85.5 164.79 17.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 66.04 -179.3 11.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -98.96 153.31 18.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -76.8 63.72 3.09 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -86.65 91.59 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.8 t -110.75 115.2 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -89.17 147.59 19.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 135.85 31.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -166.03 132.32 2.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.2 p -73.55 173.76 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.9 m -59.32 -52.43 65.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -112.4 127.96 56.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.08 -142.67 8.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.8 m -123.16 136.29 54.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.818 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.9 p -152.59 129.66 11.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.08 -76.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.51 HG23 ' HD2' ' A' ' 39' ' ' PRO . 7.1 p -112.29 135.38 21.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 111.096 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HD2' HG23 ' A' ' 38' ' ' VAL . 54.1 Cg_endo -69.74 145.41 57.16 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.661 2.241 . . . . 0.0 112.389 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -105.06 149.89 25.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -126.94 -174.93 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 45' ' ' ALA . 10.5 m-20 -115.38 126.7 54.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -41.51 -35.63 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -107.16 41.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 42' ' ' ASP . . . -71.36 178.12 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.14 152.62 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 125' ' ' ALA . 6.7 ttpm? -110.57 117.36 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.65 141.93 28.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 49' ' ' PHE . 2.8 t80 -123.84 126.82 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.547 HG22 HG22 ' A' ' 122' ' ' VAL . 18.1 t -103.59 133.65 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.68 32.39 3.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 119' ' ' PRO . 6.3 tp-100 -133.4 41.06 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.727 0.299 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mt -105.74 114.76 62.57 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.726 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -167.68 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -106.72 118.77 37.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.71 -24.99 3.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.38 169.93 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -142.06 -175.1 4.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 77' ' ' VAL . 1.3 mm-40 -56.79 -25.17 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.04 -20.4 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -97.81 -18.25 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 96.4 mt -92.04 -34.47 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.746 ' HD2' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -48.26 -46.75 67.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.8 Cg_exo -48.0 -43.99 28.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.8 mt -74.67 -54.48 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.924 ' HB2' HD11 ' A' ' 72' ' ' ILE . 20.3 m-85 -58.43 -24.05 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -82.95 -5.65 59.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.55 -20.86 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 106' ' ' ALA . 89.2 m-85 -101.14 -46.89 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.94 -173.45 34.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -86.27 125.94 33.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 66' ' ' PHE . 58.6 mt -72.41 143.66 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 5.0 t80 -100.62 -33.81 10.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -160.34 115.93 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' ' 72' ' ' ILE . 7.3 tp -121.39 114.72 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' A' ' 77' ' ' VAL . 3.4 m -137.1 154.53 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 59' ' ' GLU . 47.3 t -114.15 137.03 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 91' ' ' PHE . 18.2 mt -86.3 131.05 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -129.53 160.79 32.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.74 -177.39 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -39.4 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.71 -41.83 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.7 p -101.16 -8.09 22.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 42.18 29.88 0.69 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.7 mt -97.54 172.39 7.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -74.46 107.96 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -57.87 -50.37 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.51 42.43 0.25 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -171.8 151.27 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.65 153.95 49.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 78' ' ' LEU . 3.7 m-85 -103.57 110.44 22.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.509 HD11 HG12 ' A' ' 72' ' ' ILE . 23.3 tp -108.59 138.26 45.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.5 m -130.87 120.02 23.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 10.3 m-85 -86.85 142.59 27.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -62.91 -39.34 94.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.54 -179.46 4.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -93.25 -41.1 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 101' ' ' LEU . 10.8 t0 -69.31 -47.0 65.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.459 ' HB3' ' CD1' ' A' ' 94' ' ' TYR . 68.7 m -41.06 -43.66 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -65.71 -55.19 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 98' ' ' ASP . 14.8 mt -50.49 -45.26 56.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -60.14 -69.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB2' ' CG ' ' A' ' 69' ' ' PHE . . . -54.63 -20.03 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -77.92 -53.59 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 33.7 t -80.35 -9.54 59.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HB3' ' CE2' ' A' ' 69' ' ' PHE . . . -95.84 -17.79 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.3 mt -113.17 -44.29 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.489 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 64.6 t60 -48.61 102.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 64.61 36.81 8.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 105' ' ' SER . 2.2 mp0 -128.85 -43.87 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -98.81 157.39 16.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.2 m -134.97 96.22 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 52' ' ' GLN . 63.5 mt -52.35 154.79 4.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.61 4.17 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.98 -1.68 41.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.1 mmt -112.86 118.02 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -63.06 -34.08 76.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -99.06 156.69 35.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.489 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 54.2 Cg_endo -69.72 178.03 4.96 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.3 tt -86.99 132.98 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -105.51 119.98 40.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.547 HG22 HG22 ' A' ' 50' ' ' VAL . 26.0 t -131.47 113.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -124.92 154.9 71.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.6 Cg_endo -69.75 86.62 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -34.07 -54.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.89 136.93 36.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.5 p -134.19 140.73 46.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -81.32 143.92 31.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -62.34 151.79 45.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -88.64 176.58 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -145.7 -46.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -76.05 103.44 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.0 p -120.41 100.16 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -151.32 83.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -1.32 8.26 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.5 m 62.23 46.0 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 93.8 p -108.47 127.16 53.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -167.69 133.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.877 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -125.83 95.89 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.04 95.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.7 m -94.78 122.5 37.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -109.05 -52.15 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.87 -179.7 51.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.0 143.35 65.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 119.87 6.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.3 mtt -100.98 137.18 39.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 11.8 ptmt -123.52 -177.13 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 6.2 p-10 -111.19 135.93 50.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -56.0 -35.71 67.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -87.31 12.33 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.39 170.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.23 123.21 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 91' ' ' PHE . 17.2 tttt -81.25 104.04 11.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD22 HG12 ' A' ' 122' ' ' VAL . 29.1 mt -80.59 125.5 30.08 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -108.36 120.22 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 122' ' ' VAL . 14.3 t -102.37 135.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.95 33.38 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' CB ' ' HA ' ' A' ' 120' ' ' ILE . 88.1 mm-40 -134.26 42.12 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.32 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.4 mt -103.78 114.07 64.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 162.77 40.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -82.02 115.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.92 -29.78 1.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.6 mt -100.28 163.07 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.01 -175.27 3.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HG3' HG23 ' A' ' 77' ' ' VAL . 2.0 mp0 -55.32 -22.52 19.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.2 -24.73 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 4.6 t70 -100.34 -15.76 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 96.6 mt -90.74 -38.54 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 9.1 ttmt -49.33 -46.18 77.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.592 0.711 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 64.4 Cg_exo -47.96 -44.84 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.29 -55.19 9.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.763 ' HB2' HD11 ' A' ' 72' ' ' ILE . 24.5 m-85 -57.78 -25.47 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -81.82 0.03 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -83.43 -28.26 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.467 ' CE2' ' CB ' ' A' ' 106' ' ' ALA . 93.9 m-85 -99.69 -46.02 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.78 177.22 40.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -73.81 147.39 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.763 HD11 ' HB2' ' A' ' 66' ' ' PHE . 23.1 mt -95.48 143.43 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 16.9 t80 -100.03 -29.79 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -169.31 135.3 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.15 126.71 28.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 m -139.29 132.66 30.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' HG3' ' A' ' 59' ' ' GLU . 72.5 t -99.62 127.2 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 91' ' ' PHE . 37.4 mt -76.37 137.69 39.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -137.81 153.79 49.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.57 -179.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -120.73 -47.2 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.9 mt -68.43 -44.42 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.8 p -102.46 -25.77 13.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.49 24.64 71.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.02 146.92 23.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -57.05 99.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -52.66 -48.8 66.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.448 ' C ' ' SG ' ' A' ' 89' ' ' CYS . . . 123.16 39.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 88' ' ' GLY . 1.9 m -156.27 160.43 39.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.7 148.34 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' ' 78' ' ' LEU . 33.8 m-85 -98.4 122.32 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.628 HD22 ' CD1' ' A' ' 66' ' ' PHE . 25.5 tp -108.93 138.42 45.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 61.3 m -127.86 110.63 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CE2' HD21 ' A' ' 92' ' ' LEU . 9.5 m-85 -85.29 142.22 29.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.1 p -67.34 -26.51 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.88 150.73 39.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.62 -62.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 99' ' ' SER . 3.3 m-20 -45.88 -58.91 3.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' ASP . 46.3 m -35.26 -45.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -66.81 -53.85 28.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt -50.83 -52.47 41.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -53.37 -69.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.62 -38.79 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.55 -62.16 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.408 ' O ' ' NE2' ' A' ' 110' ' ' GLN . 13.0 t -76.14 -1.58 26.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.502 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . . . -100.18 -19.22 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.2 mt -116.35 -36.41 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -46.97 118.72 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 40.53 34.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 106' ' ' ALA . 5.2 mt-30 -129.11 -40.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.523 ' O ' HG22 ' A' ' 120' ' ' ILE . 1.0 OUTLIER -100.5 154.74 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.3 m -128.68 109.81 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.7 mt -59.86 155.85 39.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.72 2.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.48 16.88 28.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 34.9 mmm -124.12 115.69 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -61.11 -34.13 74.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -99.99 153.85 37.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 176.76 6.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 111' ' ' LYS . 6.6 tt -91.39 135.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.426 HE21 ' NE2' ' A' ' 52' ' ' GLN . 50.8 mt-30 -111.33 119.79 40.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.734 HG12 HD22 ' A' ' 48' ' ' LEU . 40.2 t -129.69 115.57 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -121.41 148.19 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.701 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 87.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.98 106.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -170.3 155.71 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.8 t -46.41 142.63 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.6 172.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 65.82 98.52 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 131' ' ' GLY . 0.0 OUTLIER -112.29 85.57 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 130' ' ' ARG . . . -37.45 118.47 0.58 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -93.64 114.13 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.5 t -129.01 115.83 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -117.78 -78.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.42 3.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.3 t -111.35 158.03 19.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.1 m -154.91 139.26 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.8 t -148.03 132.49 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -48.78 137.7 12.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.9 55.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.3 t -39.36 145.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.368 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.1 m -139.34 154.17 47.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.3 -139.54 4.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.7 m -39.69 144.38 0.5 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 143.6 51.59 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.1 mtp -122.74 138.5 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -117.48 -174.8 2.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.83 146.79 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -55.2 -40.66 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -106.2 39.47 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.35 178.26 2.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.4 mt -137.89 148.12 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 91' ' ' PHE . 6.4 ttmt -107.36 114.49 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' HB3' ' CG1' ' A' ' 122' ' ' VAL . 96.0 mt -89.88 120.46 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 31.3 t80 -102.27 131.65 48.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 122' ' ' VAL . 24.3 t -106.09 137.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -129.05 28.22 4.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.493 ' H ' HG12 ' A' ' 50' ' ' VAL . 5.4 mm-40 -133.31 41.84 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.9 mt -99.96 115.82 65.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 113' ' ' LEU . 54.0 Cg_endo -69.76 -171.29 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -103.18 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.99 -29.14 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.8 mt -100.39 156.67 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.09 -175.02 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.605 ' CG ' HG23 ' A' ' 77' ' ' VAL . 16.3 mt-10 -57.31 -20.74 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.8 -16.0 54.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 1.3 m-20 -103.27 -20.16 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 32.1 mt -89.72 -35.25 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 12.8 tttp -48.22 -46.69 67.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 65.8 Cg_exo -47.99 -47.68 18.44 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.8 -59.11 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.527 ' CD1' HD22 ' A' ' 92' ' ' LEU . 29.0 m-85 -56.46 -25.55 51.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 0.07 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -87.0 -20.52 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -102.32 -50.49 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.19 169.32 36.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -71.91 126.88 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 73' ' ' TYR . 22.1 mt -71.6 161.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 41' ' ' LYS . 23.2 t80 -114.95 -41.42 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -163.35 117.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.5 tp -115.34 136.29 53.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 m -149.76 137.24 19.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' CG ' ' A' ' 59' ' ' GLU . 97.1 t -100.53 138.77 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' A' ' 91' ' ' PHE . 19.7 mt -92.57 141.67 28.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 33.8 mttp -138.26 160.01 40.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.24 179.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -115.34 -54.91 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.7 mt -62.23 -40.57 96.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.6 p -103.9 -43.08 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.55 28.64 38.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 86' ' ' HIS . 25.8 mt -99.21 133.6 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 85' ' ' LEU . 26.0 t-80 -35.75 109.38 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 12.6 mtpp -65.54 -38.65 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 1.8 p -157.39 163.08 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.25 145.97 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 78' ' ' LEU . 12.4 m-85 -96.62 113.64 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.527 HD22 ' CD1' ' A' ' 66' ' ' PHE . 12.9 tp -106.24 127.71 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 m -115.12 127.9 55.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -101.16 151.07 22.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 79.6 m -65.14 -47.31 77.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 11.0 ptt180 -73.65 -40.08 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.661 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -59.59 -57.36 13.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.5 m -40.82 -39.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.36 53.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 98' ' ' ASP . 14.2 mt -53.24 -44.46 68.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.27 -70.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . -48.42 -42.23 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.54 -57.26 13.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -76.81 -9.84 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 110' ' ' GLN . . . -100.03 -15.07 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 103' ' ' ALA . 60.7 mt -111.29 -43.75 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.433 ' N ' ' OE1' ' A' ' 110' ' ' GLN . 59.2 t60 -50.9 98.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 69.72 33.98 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.46 ' OE1' ' C ' ' A' ' 107' ' ' LEU . 14.8 mp0 -125.02 -44.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 112' ' ' THR . 0.0 OUTLIER -100.3 156.21 17.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 60.6 m -134.2 100.27 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 54' ' ' PRO . 59.7 mt -54.41 154.26 8.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 113.17 3.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 100.39 13.82 34.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 12.3 mmm -123.25 97.12 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -43.63 -35.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.68 153.28 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -176.9 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.298 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 111' ' ' LYS . 5.6 tt -87.96 145.68 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.466 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 52.7 mt-30 -119.49 119.35 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 50' ' ' VAL . 22.3 t -128.42 134.32 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -144.58 151.13 49.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 85.41 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -42.22 144.51 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -169.51 130.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 t -89.55 -53.16 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 128' ' ' GLU . 1.8 pm0 -94.63 -30.24 14.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 61.93 -132.56 46.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.47 87.47 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.829 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -126.88 137.98 10.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.28 152.78 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.5 m -74.04 -56.12 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 174.0 -70.71 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 142.02 46.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 45.0 t -60.08 90.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.6 m -148.47 159.41 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.3 m -132.86 107.77 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 t -72.78 -60.55 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.93 145.56 6.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -87.61 106.19 17.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -94.29 146.34 24.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.61 -143.88 14.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.12 129.53 8.91 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.53 60.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.9 mtm -123.43 127.74 48.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 15.3 ptmt -105.46 167.5 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 45' ' ' ALA . 5.8 p-10 -92.75 152.52 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -61.18 -32.88 72.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -93.0 4.94 53.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' OD2' ' A' ' 42' ' ' ASP . . . -43.97 162.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mt -133.84 148.98 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HE3' ' CD1' ' A' ' 91' ' ' PHE . 17.6 tttt -105.18 103.28 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD22 HG12 ' A' ' 122' ' ' VAL . 57.5 mt -80.3 138.38 36.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 89' ' ' CYS . 53.8 t80 -119.03 137.5 53.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 122' ' ' VAL . 73.7 t -113.31 133.29 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' O ' ' CD ' ' A' ' 52' ' ' GLN . . . -125.3 29.03 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' O ' HD12 ' A' ' 113' ' ' LEU . 1.3 mp0 -130.97 43.87 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 89' ' ' CYS . 29.9 mt -106.55 114.15 62.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.733 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.67 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.19 121.49 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.49 -27.81 3.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.52 HD13 ' OD2' ' A' ' 61' ' ' ASP . 53.7 mt -100.55 157.7 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -133.13 -175.27 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.618 ' CG ' HG23 ' A' ' 77' ' ' VAL . 32.3 mt-10 -56.41 -19.04 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.57 -20.56 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.52 ' OD2' HD13 ' A' ' 57' ' ' LEU . 26.3 t70 -103.03 -14.68 16.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 79.5 mt -93.24 -30.94 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.636 ' HG3' HD12 ' A' ' 72' ' ' ILE . 15.5 ttmt -55.39 -45.19 99.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 110.939 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 66.1 Cg_exo -48.0 -54.8 4.7 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.71 2.273 . . . . 0.0 112.307 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.89 -50.55 70.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.966 ' HB2' HD11 ' A' ' 72' ' ' ILE . 22.1 m-85 -61.43 -26.13 67.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -83.25 -2.68 56.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.31 -22.06 30.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -102.47 -39.4 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.47 173.81 45.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -74.76 128.03 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.317 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.966 HD11 ' HB2' ' A' ' 66' ' ' PHE . 94.8 mt -74.6 152.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 41' ' ' LYS . 10.3 t80 -106.41 -42.88 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -158.83 118.28 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 tp -118.96 126.51 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 m -142.65 130.16 21.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.618 HG23 ' CG ' ' A' ' 59' ' ' GLU . 97.7 t -94.01 135.21 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.641 HD11 ' CE2' ' A' ' 91' ' ' PHE . 10.4 mt -82.57 140.55 33.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -139.64 154.14 47.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -59.65 175.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -109.51 -41.48 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.45 -40.36 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -100.69 -28.34 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.45 17.88 62.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.3 mt -87.74 172.33 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -70.32 104.39 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -59.01 -47.85 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.61 42.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 7.2 p -170.22 162.54 8.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.792 0.33 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.28 144.35 17.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.641 ' CE2' HD11 ' A' ' 78' ' ' LEU . 17.7 m-85 -94.0 116.52 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 66' ' ' PHE . 13.0 tp -108.09 131.17 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.6 m -121.88 125.9 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 100' ' ' ALA . 11.7 m-85 -94.16 162.7 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.9 p -80.44 -31.72 37.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -117.96 164.6 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -76.34 -29.05 57.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 6.3 t0 -71.33 -55.91 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.2 m -42.8 -38.16 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . . . -71.51 -56.93 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.8 mt -47.21 -50.59 20.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 106' ' ' ALA . 23.0 mtpt -59.21 -68.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -46.64 -30.46 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.03 -61.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 t -76.31 -2.71 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 102' ' ' LYS . . . -99.02 -24.89 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.6 mt -109.5 -39.52 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -49.0 104.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 59.96 36.69 21.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -127.33 -43.98 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -99.57 158.5 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.5 m -134.9 103.62 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 52' ' ' GLN . 59.2 mt -58.57 155.54 28.5 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.23 . . . . 0.0 112.368 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.41 3.63 58.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 4.9 mmt -116.13 107.92 15.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -56.76 -32.09 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.42 152.66 38.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 4.0 tt -91.56 129.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -105.92 119.72 39.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 50' ' ' VAL . 41.5 t -131.08 120.83 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.494 ' HE2' ' N ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -132.62 154.96 81.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 125' ' ' ALA . 53.9 Cg_endo -69.72 84.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.718 2.278 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 124' ' ' PRO . . . -33.67 -60.3 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.75 124.45 24.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.1 t -123.03 135.51 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -109.93 -61.85 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -151.89 150.8 22.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -95.15 156.32 16.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.84 -133.04 4.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -144.41 130.81 19.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 134' ' ' GLY . 13.4 t -77.95 144.22 36.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 133' ' ' SER . . . 37.44 72.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.539 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -40.33 5.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 m -118.03 105.94 12.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 21.5 t -76.99 89.34 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 stop_ save_